1,3-bis(1,1,2,3,3,3-hexafluoropropyl)cyclopentane-1,3-diol

C11H10F12O2 — CID 15503701

IUPAC1,3-bis(1,1,2,3,3,3-hexafluoropropyl)cyclopentane-1,3-diol
SMILESOC1(C(F)(F)C(F)C(F)(F)F)CCC(O)(C(F)(F)C(F)C(F)(F)F)C1
InChIInChI=1S/C11H10F12O2/c12-4(10(18,19)20)8(14,15)6(24)1-2-7(25,3-6)9(16,17)5(13)11(21,22)23/h4-5,24-25H,1-3H2
InChIKeyYLGWJMKYSVJCNH-UHFFFAOYSA-N
MW402.18 g/mol
LogP3.70
Rot. Bonds4

About 1,3-bis(1,1,2,3,3,3-hexafluoropropyl)cyclopentane-1,3-diol

1,3-bis(1,1,2,3,3,3-hexafluoropropyl)cyclopentane-1,3-diol (PubChem CID 15503701) has the molecular formula C11H10F12O2 and a molecular weight of 402.18 g/mol. Its IUPAC name is 1,3-bis(1,1,2,3,3,3-hexafluoropropyl)cyclopentane-1,3-diol.

Molecular Properties

Compound Name1,3-bis(1,1,2,3,3,3-hexafluoropropyl)cyclopentane-1,3-diol
PubChem CID15503701
Molecular FormulaC11H10F12O2
Molecular Weight402.18 g/mol
Exact Mass402.05
IUPAC Name1,3-bis(1,1,2,3,3,3-hexafluoropropyl)cyclopentane-1,3-diol
SMILESOC1(C(F)(F)C(F)C(F)(F)F)CCC(O)(C(F)(F)C(F)C(F)(F)F)C1
InChIInChI=1S/C11H10F12O2/c12-4(10(18,19)20)8(14,15)6(24)1-2-7(25,3-6)9(16,17)5(13)11(21,22)23/h4-5,24-25H,1-3H2
InChIKeyYLGWJMKYSVJCNH-UHFFFAOYSA-N
XLogP3.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.18
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-bis(1,1,2,3,3,3-hexafluoropropyl)cyclohexane
CID 87672074
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)cyclopropan-1-ol
CID 103310937
1,1,2,3,3,3-hexafluoropropan-1-ol;silane
CID 174461418
(5S,7R)-3-[(2S)-1,1,2,3,3,3-hexafluoropropyl]adamantan-1-amine
CID 2330402
1-(trifluoromethyl)cyclopentan-1-ol
CID 23506080
2,2,3,4,4,4-hexafluorobutan-1-ol
CID 533990
1,1,1,2,3,3,3-heptafluoropropane;1,1,1,2,3,3,3-heptafluoropropan-2-ol
CID 87660779
1-[bromo(difluoro)methyl]-4,4-difluorocyclohexan-1-ol
CID 164651145
1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride
CID 153410019
3-(aminomethyl)-3-methyl-1-(trifluoromethyl)cyclopentan-1-ol
CID 83960347
2,2,3,3,4,4,5,5-octafluoro-1-(1,1,2,3,3,3-hexafluoropropyl)pyrrolidine
CID 101245741
(2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane
CID 95036254

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1,1,2,3,3,3-hexafluoropropyl)cyclopentane-1,3-diol?
The IUPAC name of 1,3-bis(1,1,2,3,3,3-hexafluoropropyl)cyclopentane-1,3-diol (CID 15503701) is 1,3-bis(1,1,2,3,3,3-hexafluoropropyl)cyclopentane-1,3-diol.
What is the SMILES notation for 1,3-bis(1,1,2,3,3,3-hexafluoropropyl)cyclopentane-1,3-diol?
The canonical SMILES for 1,3-bis(1,1,2,3,3,3-hexafluoropropyl)cyclopentane-1,3-diol is OC1(C(F)(F)C(F)C(F)(F)F)CCC(O)(C(F)(F)C(F)C(F)(F)F)C1.
What is the InChIKey of 1,3-bis(1,1,2,3,3,3-hexafluoropropyl)cyclopentane-1,3-diol?
The InChIKey is YLGWJMKYSVJCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F12O2/c12-4(10(18,19)20)8(14,15)6(24)1-2-7(25,3-6)9(16,17)5(13)11(21,22)23/h4-5,24-25H,1-3H2.
What are the key properties of 1,3-bis(1,1,2,3,3,3-hexafluoropropyl)cyclopentane-1,3-diol?
1,3-bis(1,1,2,3,3,3-hexafluoropropyl)cyclopentane-1,3-diol has a molecular weight of 402.18 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1,1,2,3,3,3-hexafluoropropyl)cyclopentane-1,3-diol is sourced from PubChem (CID 15503701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).