trans-(4S,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane

C10F20 — CID 98047723

IUPACtrans-(4S,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane
SMILESFC(F)(F)C(F)(F)[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/C10F20/c11-1(6(19,20)9(25,26)27)3(13,14)2(12,7(21,22)10(28,29)30)5(17,18)8(23,24)4(1,15)16/t1-,2-/m0/s1
InChIKeyOIWXSBDFHALUCH-LWMBPPNESA-N
MW500.07 g/mol
LogP6.35
Rot. Bonds2

About trans-(4S,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane

trans-(4S,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane (PubChem CID 98047723) has the molecular formula C10F20 and a molecular weight of 500.07 g/mol. Its IUPAC name is trans-(4S,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane.

Molecular Properties

Compound Nametrans-(4S,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane
PubChem CID98047723
Molecular FormulaC10F20
Molecular Weight500.07 g/mol
Exact Mass499.97
IUPAC Nametrans-(4S,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane
SMILESFC(F)(F)C(F)(F)[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/C10F20/c11-1(6(19,20)9(25,26)27)3(13,14)2(12,7(21,22)10(28,29)30)5(17,18)8(23,24)4(1,15)16/t1-,2-/m0/s1
InChIKeyOIWXSBDFHALUCH-LWMBPPNESA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.07
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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-[1,1,2,2-tetrafluoro-2-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)ethyl]cyclohexane
CID 138394265
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
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
[2,2,3,3,4,4,5,5,6-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
1,1,2,2,3,3,4,4,5,5-decafluoro-6-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)cyclohexane
CID 87754680
1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane
CID 175593131
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
[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

Frequently Asked Questions

What is the IUPAC name of trans-(4S,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane?
The IUPAC name of 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) is trans-(4S,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane.
What is the SMILES notation for trans-(4S,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane?
The canonical SMILES for trans-(4S,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane is FC(F)(F)C(F)(F)[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 trans-(4S,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane?
The InChIKey is OIWXSBDFHALUCH-LWMBPPNESA-N. The full InChI is InChI=1S/C10F20/c11-1(6(19,20)9(25,26)27)3(13,14)2(12,7(21,22)10(28,29)30)5(17,18)8(23,24)4(1,15)16/t1-,2-/m0/s1.
What are the key properties of trans-(4S,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane?
trans-(4S,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane has a molecular weight of 500.07 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(4S,6S)-1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(1,1,2,2,2-pentafluoroethyl)cyclohexane is sourced from PubChem (CID 98047723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).