1,1,2,2,3,3,4,5-octafluoro-4,5-bis(trifluoromethyl)cyclopentane

C7F14 — CID 10247271

IUPAC1,1,2,2,3,3,4,5-octafluoro-4,5-bis(trifluoromethyl)cyclopentane
SMILESFC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)F
InChIInChI=1S/C7F14/c8-1(6(16,17)18)2(9,7(19,20)21)4(12,13)5(14,15)3(1,10)11
InChIKeyIIGBPQRTNFGIOU-UHFFFAOYSA-N
MW350.05 g/mol
LogP4.45
Rot. Bonds

About 1,1,2,2,3,3,4,5-octafluoro-4,5-bis(trifluoromethyl)cyclopentane

1,1,2,2,3,3,4,5-octafluoro-4,5-bis(trifluoromethyl)cyclopentane (PubChem CID 10247271) has the molecular formula C7F14 and a molecular weight of 350.05 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,5-octafluoro-4,5-bis(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,5-octafluoro-4,5-bis(trifluoromethyl)cyclopentane
PubChem CID10247271
Molecular FormulaC7F14
Molecular Weight350.05 g/mol
Exact Mass349.98
IUPAC Name1,1,2,2,3,3,4,5-octafluoro-4,5-bis(trifluoromethyl)cyclopentane
SMILESFC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)F
InChIInChI=1S/C7F14/c8-1(6(16,17)18)2(9,7(19,20)21)4(12,13)5(14,15)3(1,10)11
InChIKeyIIGBPQRTNFGIOU-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.05
LogP ≤ 54.45
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

(4aR,8R,8aR)-1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluoro-8-(trifluoromethyl)naphthalene
CID 76965921
(4aR,7R,8aS)-1,1,2,2,3,3,4,4,4a,5,5,6,6,7,8,8,8a-heptadecafluoro-7-(trifluoromethyl)naphthalene
CID 98966166
1,1,2,2,3,3a,4,4,5,5,6,6,7,7,7a-pentadecafluoro-3-(trifluoromethyl)indene
CID 22508282
1,1,2,2,3,3,4,4,5-nonafluoro-5,6,6-tris(trifluoromethyl)cyclohexane
CID 19898572
(4aR,8S,8aS)-1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluoro-8-(trifluoromethyl)naphthalene
CID 76965926
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
2,2,3,3,4,4,5,6,6-nonafluoro-1,5-bis(trifluoromethyl)cyclohexan-1-amine
CID 87889098
(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
1,1,2,2,3,3,4,4,6,6,7,8,8,9,9,9a-hexadecafluoro-7-(trifluoromethyl)quinolizine
CID 13477173
(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
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

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,5-octafluoro-4,5-bis(trifluoromethyl)cyclopentane?
The IUPAC name of 1,1,2,2,3,3,4,5-octafluoro-4,5-bis(trifluoromethyl)cyclopentane (CID 10247271) is 1,1,2,2,3,3,4,5-octafluoro-4,5-bis(trifluoromethyl)cyclopentane.
What is the SMILES notation for 1,1,2,2,3,3,4,5-octafluoro-4,5-bis(trifluoromethyl)cyclopentane?
The canonical SMILES for 1,1,2,2,3,3,4,5-octafluoro-4,5-bis(trifluoromethyl)cyclopentane is FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,5-octafluoro-4,5-bis(trifluoromethyl)cyclopentane?
The InChIKey is IIGBPQRTNFGIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F14/c8-1(6(16,17)18)2(9,7(19,20)21)4(12,13)5(14,15)3(1,10)11.
What are the key properties of 1,1,2,2,3,3,4,5-octafluoro-4,5-bis(trifluoromethyl)cyclopentane?
1,1,2,2,3,3,4,5-octafluoro-4,5-bis(trifluoromethyl)cyclopentane has a molecular weight of 350.05 g/mol, XLogP of 4.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,5-octafluoro-4,5-bis(trifluoromethyl)cyclopentane is sourced from PubChem (CID 10247271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).