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

C12F24 — CID 141474938

IUPAC1,1,2,2,3,3,4,4,5-nonafluoro-5-(1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-2-yl)cyclopentane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12F24/c13-1(3(15,16)6(21,22)7(23,24)4(1,17)18)2(14,11(31,32)33)5(19,20)8(25,26)9(27,28)10(29,30)12(34,35)36
InChIKeyDPBOZKDNAHKBKJ-UHFFFAOYSA-N
MW600.08 g/mol
LogP7.62
Rot. Bonds5

About 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

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 (PubChem CID 141474938) has the molecular formula C12F24 and a molecular weight of 600.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5-nonafluoro-5-(1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-2-yl)cyclopentane
PubChem CID141474938
Molecular FormulaC12F24
Molecular Weight600.08 g/mol
Exact Mass599.96
IUPAC Name1,1,2,2,3,3,4,4,5-nonafluoro-5-(1,1,1,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptan-2-yl)cyclopentane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12F24/c13-1(3(15,16)6(21,22)7(23,24)4(1,17)18)2(14,11(31,32)33)5(19,20)8(25,26)9(27,28)10(29,30)12(34,35)36
InChIKeyDPBOZKDNAHKBKJ-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.08
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
1,1,2,2,3,3,4,5-octafluoro-4,5-bis(trifluoromethyl)cyclopentane
CID 10247271
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
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
trichloro(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-tritriacontafluorohexadecyl)silane
CID 155573710
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
CID 175811708
CID 175811708
1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane
CID 175593131
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 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?
The InChIKey is DPBOZKDNAHKBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F24/c13-1(3(15,16)6(21,22)7(23,24)4(1,17)18)2(14,11(31,32)33)5(19,20)8(25,26)9(27,28)10(29,30)12(34,35)36.
What are the key properties of 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?
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 has a molecular weight of 600.08 g/mol, XLogP of 7.62, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141474938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).