cis-(4R,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-6-(1,1,2,2,2-pentafluoroethyl)cyclohexane

C11F22O — CID 97291005

IUPACcis-(4R,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-6-(1,1,2,2,2-pentafluoroethyl)cyclohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)O[C@]1(F)C(F)(F)C(F)(F)C(F)(F)[C@](F)(C(F)(F)C(F)(F)F)C1(F)F
InChIInChI=1S/C11F22O/c12-1(4(17,18)9(26,27)28)2(13,14)5(19,20)6(21,22)8(25,3(1,15)16)34-11(32,33)7(23,24)10(29,30)31/t1-,8+/m1/s1
InChIKeyKJWVJLNGXBWWIH-CRGVEWFDSA-N
MW566.08 g/mol
LogP6.92
Rot. Bonds4

About cis-(4R,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-6-(1,1,2,2,2-pentafluoroethyl)cyclohexane

cis-(4R,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-6-(1,1,2,2,2-pentafluoroethyl)cyclohexane (PubChem CID 97291005) has the molecular formula C11F22O and a molecular weight of 566.08 g/mol. Its IUPAC name is cis-(4R,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-6-(1,1,2,2,2-pentafluoroethyl)cyclohexane.

Molecular Properties

Compound Namecis-(4R,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-6-(1,1,2,2,2-pentafluoroethyl)cyclohexane
PubChem CID97291005
Molecular FormulaC11F22O
Molecular Weight566.08 g/mol
Exact Mass565.96
IUPAC Namecis-(4R,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-6-(1,1,2,2,2-pentafluoroethyl)cyclohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)O[C@]1(F)C(F)(F)C(F)(F)C(F)(F)[C@](F)(C(F)(F)C(F)(F)F)C1(F)F
InChIInChI=1S/C11F22O/c12-1(4(17,18)9(26,27)28)2(13,14)5(19,20)6(21,22)8(25,3(1,15)16)34-11(32,33)7(23,24)10(29,30)31/t1-,8+/m1/s1
InChIKeyKJWVJLNGXBWWIH-CRGVEWFDSA-N
XLogP6.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.08
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze cis-(4R,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-6-(1,1,2,2,2-pentafluoroethyl)cyclohexane with MolForge

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Related Compounds

trans-(4S,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane
CID 98047723
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,2,2-tetrafluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethyl]cyclohexane
CID 138394265
1,1,2,2,3,4,4,5,6-nonafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5,6-bis(trifluoromethyl)cyclohexane
CID 54081913
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]cyclohexane;1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexane
CID 87173348
[2-[1,2,2,3,3,4,4,5,5,6-decafluoro-6-(1,1,2,2-tetrafluoro-2-fluorooxyethyl)cyclohexyl]-1,1,2,2-tetrafluoroethyl] hypofluorite
CID 87172990
1,1,2,2,3,3,4,4,5-nonafluoro-5-(1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-2-yl)cyclopentane
CID 141474938
1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,3,3-pentafluorocyclopropyl)oxypropan-2-yl]oxyethanesulfonyl fluoride
CID 11038354
[2,2,3,3,4,4,5,5,6-nonafluoro-1,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexyl]phosphonic acid
CID 87155870
1,1,2,2,3,3,4,5-octafluoro-4,5-bis(trifluoromethyl)cyclopentane
CID 10247271
(4aS,6S,7S,8S,8aS)-1,1,2,2,3,3,4,4,4a,5,5,6,7,8,8a-pentadecafluoro-8-(1,1,2,2,2-pentafluoroethyl)-6,7-bis(trifluoromethyl)naphthalene
CID 97291011
(4aS,6R,7R,8R,8aS)-1,1,2,2,3,3,4,4,4a,5,5,6,7,8,8a-pentadecafluoro-8-(1,1,2,2,2-pentafluoroethyl)-6,7-bis(trifluoromethyl)naphthalene
CID 125041813
3,4,4,5,5,6-hexafluoro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononoxy)cyclohexene
CID 151074158

Frequently Asked Questions

What is the IUPAC name of cis-(4R,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-6-(1,1,2,2,2-pentafluoroethyl)cyclohexane?
The IUPAC name of cis-(4R,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-6-(1,1,2,2,2-pentafluoroethyl)cyclohexane (CID 97291005) is cis-(4R,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-6-(1,1,2,2,2-pentafluoroethyl)cyclohexane.
What is the SMILES notation for cis-(4R,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-6-(1,1,2,2,2-pentafluoroethyl)cyclohexane?
The canonical SMILES for cis-(4R,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-6-(1,1,2,2,2-pentafluoroethyl)cyclohexane is FC(F)(F)C(F)(F)C(F)(F)O[C@]1(F)C(F)(F)C(F)(F)C(F)(F)[C@](F)(C(F)(F)C(F)(F)F)C1(F)F.
What is the InChIKey of cis-(4R,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-6-(1,1,2,2,2-pentafluoroethyl)cyclohexane?
The InChIKey is KJWVJLNGXBWWIH-CRGVEWFDSA-N. The full InChI is InChI=1S/C11F22O/c12-1(4(17,18)9(26,27)28)2(13,14)5(19,20)6(21,22)8(25,3(1,15)16)34-11(32,33)7(23,24)10(29,30)31/t1-,8+/m1/s1.
What are the key properties of cis-(4R,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-6-(1,1,2,2,2-pentafluoroethyl)cyclohexane?
cis-(4R,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-6-(1,1,2,2,2-pentafluoroethyl)cyclohexane has a molecular weight of 566.08 g/mol, XLogP of 6.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(4R,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-6-(1,1,2,2,2-pentafluoroethyl)cyclohexane is sourced from PubChem (CID 97291005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).