1-(4,4-difluorocyclohexyl)-4-methylpent-4-en-1-ol

C12H20F2O — CID 105127383

IUPAC1-(4,4-difluorocyclohexyl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)C1CCC(F)(F)CC1
InChIInChI=1S/C12H20F2O/c1-9(2)3-4-11(15)10-5-7-12(13,14)8-6-10/h10-11,15H,1,3-8H2,2H3
InChIKeyABGIBMLOXAWJLL-UHFFFAOYSA-N
MW218.29 g/mol
LogP3.53
Rot. Bonds4

About 1-(4,4-difluorocyclohexyl)-4-methylpent-4-en-1-ol

1-(4,4-difluorocyclohexyl)-4-methylpent-4-en-1-ol (PubChem CID 105127383) has the molecular formula C12H20F2O and a molecular weight of 218.29 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-4-methylpent-4-en-1-ol.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-4-methylpent-4-en-1-ol
PubChem CID105127383
Molecular FormulaC12H20F2O
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name1-(4,4-difluorocyclohexyl)-4-methylpent-4-en-1-ol
SMILESC=C(C)CCC(O)C1CCC(F)(F)CC1
InChIInChI=1S/C12H20F2O/c1-9(2)3-4-11(15)10-5-7-12(13,14)8-6-10/h10-11,15H,1,3-8H2,2H3
InChIKeyABGIBMLOXAWJLL-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-ol
CID 105110086
4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-ol
CID 114474025
1-[(1S,3R)-3-ethenylcyclohexyl]-4-methylpent-4-en-1-ol
CID 11608159
(1S)-7-methyl-4-methylidene-1-(4-propan-2-ylcyclohexyl)octan-1-ol
CID 118287020
1-[1-(dimethylamino)-4-methylcyclohexyl]-4-methylpent-4-en-1-ol
CID 114473947
1-cyclopropyl-3-methylbut-3-en-1-ol
CID 79179792
4-amino-3-cyclopropyl-1-(4,4-dimethylcyclohexyl)pent-4-en-1-ol
CID 163517383
(1R)-1-(4,4-dimethylcyclohexyl)-5,5-dimethylhexan-1-ol
CID 177218986
2,5-dimethylhex-5-ene-1,1-diol
CID 88503199
1,1-difluoro-4-(3-methylbutan-2-yl)cyclohexane
CID 134252083
2-(4,4-difluorocyclohexyl)-1-methoxypropan-1-ol
CID 90710421
1-(4,4-difluorocyclohexyl)-2,2-dimethylpropan-1-amine
CID 105146065

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-4-methylpent-4-en-1-ol?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-4-methylpent-4-en-1-ol (CID 105127383) is 1-(4,4-difluorocyclohexyl)-4-methylpent-4-en-1-ol.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-4-methylpent-4-en-1-ol?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-4-methylpent-4-en-1-ol is C=C(C)CCC(O)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-4-methylpent-4-en-1-ol?
The InChIKey is ABGIBMLOXAWJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2O/c1-9(2)3-4-11(15)10-5-7-12(13,14)8-6-10/h10-11,15H,1,3-8H2,2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-4-methylpent-4-en-1-ol?
1-(4,4-difluorocyclohexyl)-4-methylpent-4-en-1-ol has a molecular weight of 218.29 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-4-methylpent-4-en-1-ol is sourced from PubChem (CID 105127383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).