3,5-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol

C11H20F2O2 — CID 129040635

IUPAC3,5-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol
SMILESCC(C)C1(F)CC(F)(C(C)C)C(O)C1O
InChIInChI=1S/C11H20F2O2/c1-6(2)10(12)5-11(13,7(3)4)9(15)8(10)14/h6-9,14-15H,5H2,1-4H3
InChIKeyIMFOMFCNGJOPME-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.84
Rot. Bonds2

About 3,5-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol

3,5-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol (PubChem CID 129040635) has the molecular formula C11H20F2O2 and a molecular weight of 222.28 g/mol. Its IUPAC name is 3,5-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name3,5-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol
PubChem CID129040635
Molecular FormulaC11H20F2O2
Molecular Weight222.28 g/mol
Exact Mass222.14
IUPAC Name3,5-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol
SMILESCC(C)C1(F)CC(F)(C(C)C)C(O)C1O
InChIInChI=1S/C11H20F2O2/c1-6(2)10(12)5-11(13,7(3)4)9(15)8(10)14/h6-9,14-15H,5H2,1-4H3
InChIKeyIMFOMFCNGJOPME-UHFFFAOYSA-N
XLogP1.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-4-hexylcyclopentane-1,2-diol
CID 52916276
(1S,2R,3S,5S)-3-(difluoromethyl)-5-propan-2-ylcyclopentane-1,2-diol
CID 58519635
(1S,2R,3S,5S)-3-(2-fluoropropan-2-yl)-5-propan-2-ylcyclopentane-1,2-diol
CID 90365848
(1S,2R,3S,5S)-3-(1,1-difluoroethyl)-5-propan-2-ylcyclopentane-1,2-diol
CID 90365851
(1S,2R,3S,5R)-3-(1,1-difluoroethyl)-5-methylcyclopentane-1,2-diol
CID 90368845
(1S,2R,3S,5R)-3-(2-fluoropropan-2-yl)-5-methylcyclopentane-1,2-diol
CID 90369024
4,4-Difluoro-3-methyl-5-propan-2-ylcyclopentane-1,2-diol
CID 118544192
3-Ethyl-2-fluoro-5-propan-2-ylcyclopentan-1-ol
CID 123394681
3-(1,1-Difluoroethyl)-5-ethylcyclopentane-1,2-diol
CID 123656436
3-Fluoro-3-propan-2-ylcyclopentane-1,2-diol
CID 123699960
1,2-Difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol
CID 129040629
4-Fluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol
CID 129040636

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol?
The IUPAC name of 3,5-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol (CID 129040635) is 3,5-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol.
What is the SMILES notation for 3,5-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol?
The canonical SMILES for 3,5-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol is CC(C)C1(F)CC(F)(C(C)C)C(O)C1O.
What is the InChIKey of 3,5-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol?
The InChIKey is IMFOMFCNGJOPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O2/c1-6(2)10(12)5-11(13,7(3)4)9(15)8(10)14/h6-9,14-15H,5H2,1-4H3.
What are the key properties of 3,5-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol?
3,5-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol has a molecular weight of 222.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-3,5-di(propan-2-yl)cyclopentane-1,2-diol is sourced from PubChem (CID 129040635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).