1,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-ol

C21H32F2O — CID 174435120

IUPAC1,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-ol
SMILESCCCC1CCC(C2CCC(C3=CC(F)C(O)(F)C=C3)CC2)CC1
InChIInChI=1S/C21H32F2O/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-21(23,24)20(22)14-19/h12-18,20,24H,2-11H2,1H3
InChIKeyBJVXUSWPIXUANG-UHFFFAOYSA-N
MW338.48 g/mol
LogP5.89
Rot. Bonds4

About 1,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-ol

1,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-ol (PubChem CID 174435120) has the molecular formula C21H32F2O and a molecular weight of 338.48 g/mol. Its IUPAC name is 1,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-ol
PubChem CID174435120
Molecular FormulaC21H32F2O
Molecular Weight338.48 g/mol
Exact Mass338.24
IUPAC Name1,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-ol
SMILESCCCC1CCC(C2CCC(C3=CC(F)C(O)(F)C=C3)CC2)CC1
InChIInChI=1S/C21H32F2O/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-21(23,24)20(22)14-19/h12-18,20,24H,2-11H2,1H3
InChIKeyBJVXUSWPIXUANG-UHFFFAOYSA-N
XLogP5.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.48
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-ol with MolForge

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Related Compounds

4-[2-[4-(4-Methylcyclohexyl)cyclohexyl]ethyl]-2-(4,4,4-trifluorobutyl)cyclohexa-1,5-dien-1-ol
CID 71083736
(E)-7-[(4E)-4-[(2Z)-2-(3,5-difluoro-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]-3-ethyloct-4-en-3-ol
CID 90121228
(E)-7-[(4E)-4-[(2Z)-2-(3,5-difluoro-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]-3-ethylhept-4-en-3-ol
CID 90121259
(1S)-2,3-difluoro-4-(4-pentylcyclohexyl)cyclohexa-2,4-dien-1-ol
CID 90437523
7-[4-[2-(3,5-difluoro-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]-3-ethyloct-4-en-3-ol
CID 123710828
7-[4-[2-(3,5-difluoro-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]-3-ethylhept-4-en-3-ol
CID 123811212
1,6-Difluoro-5-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol
CID 141308044
(4E,7S,8Z)-3-ethyl-8-[(1S,3E)-3-[(2Z)-2-[(3S)-3-fluoro-2-methylidenecyclohexylidene]ethylidene]-1,2-dimethylcyclohexyl]-7-methyldeca-4,8-dien-3-ol
CID 143095822
6-Fluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethoxy)cyclohexa-1,3-diene
CID 154493010
6-Fluoro-2-[4-(4-pentylcyclohexyl)cyclohexyl]-6-(trifluoromethoxy)cyclohexa-1,3-diene
CID 154493011
4-[4-[2-(4-Ethylcyclohexyl)ethyl]cyclohexyl]-1,6-difluorocyclohexa-2,4-dien-1-ol
CID 174430877
1,6-Difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-ol
CID 174435121

Frequently Asked Questions

What is the IUPAC name of 1,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-ol (CID 174435120) is 1,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-ol is CCCC1CCC(C2CCC(C3=CC(F)C(O)(F)C=C3)CC2)CC1.
What is the InChIKey of 1,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-ol?
The InChIKey is BJVXUSWPIXUANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32F2O/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-13-21(23,24)20(22)14-19/h12-18,20,24H,2-11H2,1H3.
What are the key properties of 1,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-ol?
1,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-ol has a molecular weight of 338.48 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 174435120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).