1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol

C14H24F2O — CID 114224509

IUPAC1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol
SMILESOC(CC1CCCCC1)CC1CCC(F)(F)C1
InChIInChI=1S/C14H24F2O/c15-14(16)7-6-12(10-14)9-13(17)8-11-4-2-1-3-5-11/h11-13,17H,1-10H2
InChIKeyHIJUVDKMLMLKCR-UHFFFAOYSA-N
MW246.34 g/mol
LogP4.14
Rot. Bonds4

About 1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol

1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol (PubChem CID 114224509) has the molecular formula C14H24F2O and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol
PubChem CID114224509
Molecular FormulaC14H24F2O
Molecular Weight246.34 g/mol
Exact Mass246.18
IUPAC Name1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol
SMILESOC(CC1CCCCC1)CC1CCC(F)(F)C1
InChIInChI=1S/C14H24F2O/c15-14(16)7-6-12(10-14)9-13(17)8-11-4-2-1-3-5-11/h11-13,17H,1-10H2
InChIKeyHIJUVDKMLMLKCR-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3-difluorocyclopentyl)-3-(thian-4-yl)propan-2-ol
CID 114225887
1-(3,3-difluorocyclopentyl)propan-2-ol
CID 130487406
2-cyclohexyl-1-(3,3-difluorocyclohexyl)ethanol
CID 114215735
3-amino-1-(3,3-difluorocyclopentyl)butan-2-ol
CID 164658398
1-(3,3-difluorocyclopentyl)-3,3-difluorobutan-2-ol
CID 127003791
(2R)-1-cyclohexylbutan-2-ol
CID 59949714
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
1-cyclohexyl-3-(3,3-difluorocyclohexyl)-1-hydroxypropan-2-one
CID 114224662
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane
CID 130487711
2-amino-3-(3,3-difluorocyclopentyl)propanamide
CID 130487339
2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol
CID 114224702
1-cycloheptyl-5-methylhexan-2-ol
CID 115783773

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol?
The IUPAC name of 1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol (CID 114224509) is 1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol.
What is the SMILES notation for 1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol?
The canonical SMILES for 1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol is OC(CC1CCCCC1)CC1CCC(F)(F)C1.
What is the InChIKey of 1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol?
The InChIKey is HIJUVDKMLMLKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2O/c15-14(16)7-6-12(10-14)9-13(17)8-11-4-2-1-3-5-11/h11-13,17H,1-10H2.
What are the key properties of 1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol?
1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol has a molecular weight of 246.34 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol is sourced from PubChem (CID 114224509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).