4-(4-cyclobutylcyclohexyl)-2,3-difluorocyclohexan-1-ol

C16H26F2O — CID 138663744

IUPAC4-(4-cyclobutylcyclohexyl)-2,3-difluorocyclohexan-1-ol
SMILESOC1CCC(C2CCC(C3CCC3)CC2)C(F)C1F
InChIInChI=1S/C16H26F2O/c17-15-13(8-9-14(19)16(15)18)12-6-4-11(5-7-12)10-2-1-3-10/h10-16,19H,1-9H2
InChIKeyXPXVCMCTUWEBHV-UHFFFAOYSA-N
MW272.38 g/mol
LogP4.04
Rot. Bonds2

About 4-(4-cyclobutylcyclohexyl)-2,3-difluorocyclohexan-1-ol

4-(4-cyclobutylcyclohexyl)-2,3-difluorocyclohexan-1-ol (PubChem CID 138663744) has the molecular formula C16H26F2O and a molecular weight of 272.38 g/mol. Its IUPAC name is 4-(4-cyclobutylcyclohexyl)-2,3-difluorocyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-cyclobutylcyclohexyl)-2,3-difluorocyclohexan-1-ol
PubChem CID138663744
Molecular FormulaC16H26F2O
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name4-(4-cyclobutylcyclohexyl)-2,3-difluorocyclohexan-1-ol
SMILESOC1CCC(C2CCC(C3CCC3)CC2)C(F)C1F
InChIInChI=1S/C16H26F2O/c17-15-13(8-9-14(19)16(15)18)12-6-4-11(5-7-12)10-2-1-3-10/h10-16,19H,1-9H2
InChIKeyXPXVCMCTUWEBHV-UHFFFAOYSA-N
XLogP4.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-(4-cyclopentylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol
CID 138663959
4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluorocyclohexan-1-ol
CID 89059440
2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexan-1-ol;ethane;prop-1-ene
CID 144922818
2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexan-1-ol
CID 142486175
2,3-difluoro-4-[4-[(4-sulfanylcyclohexyl)methyl]cyclohexyl]cyclohexan-1-ol
CID 138567306
2-cyclopentylcyclobutan-1-ol
CID 154017265
1-cyclohexyl-2,3-difluoro-4-[4-(3-fluoro-4-iodocyclohexyl)cyclohexyl]cyclohexane
CID 90437409
2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene-3,4-diol
CID 140658819
2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-3-ol
CID 143022557
1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-1-ol
CID 141104109
4-[[4-(4-cyclopentylcyclohexyl)cyclohexyl]methoxy]-2,3-difluorocyclohexan-1-ol
CID 169238885
(1R,5R)-bicyclo[3.2.0]heptane
CID 123536914

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclobutylcyclohexyl)-2,3-difluorocyclohexan-1-ol?
The IUPAC name of 4-(4-cyclobutylcyclohexyl)-2,3-difluorocyclohexan-1-ol (CID 138663744) is 4-(4-cyclobutylcyclohexyl)-2,3-difluorocyclohexan-1-ol.
What is the SMILES notation for 4-(4-cyclobutylcyclohexyl)-2,3-difluorocyclohexan-1-ol?
The canonical SMILES for 4-(4-cyclobutylcyclohexyl)-2,3-difluorocyclohexan-1-ol is OC1CCC(C2CCC(C3CCC3)CC2)C(F)C1F.
What is the InChIKey of 4-(4-cyclobutylcyclohexyl)-2,3-difluorocyclohexan-1-ol?
The InChIKey is XPXVCMCTUWEBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2O/c17-15-13(8-9-14(19)16(15)18)12-6-4-11(5-7-12)10-2-1-3-10/h10-16,19H,1-9H2.
What are the key properties of 4-(4-cyclobutylcyclohexyl)-2,3-difluorocyclohexan-1-ol?
4-(4-cyclobutylcyclohexyl)-2,3-difluorocyclohexan-1-ol has a molecular weight of 272.38 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclobutylcyclohexyl)-2,3-difluorocyclohexan-1-ol is sourced from PubChem (CID 138663744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).