1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-ol

C11H18F2O — CID 105110086

IUPAC1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-ol
SMILESC=C(C)CC(O)C1CCC(F)(F)CC1
InChIInChI=1S/C11H18F2O/c1-8(2)7-10(14)9-3-5-11(12,13)6-4-9/h9-10,14H,1,3-7H2,2H3
InChIKeyATNAVVCGWOCNKG-UHFFFAOYSA-N
MW204.26 g/mol
LogP3.14
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-ol

1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-ol (PubChem CID 105110086) has the molecular formula C11H18F2O and a molecular weight of 204.26 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-ol.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-ol
PubChem CID105110086
Molecular FormulaC11H18F2O
Molecular Weight204.26 g/mol
Exact Mass204.13
IUPAC Name1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-ol
SMILESC=C(C)CC(O)C1CCC(F)(F)CC1
InChIInChI=1S/C11H18F2O/c1-8(2)7-10(14)9-3-5-11(12,13)6-4-9/h9-10,14H,1,3-7H2,2H3
InChIKeyATNAVVCGWOCNKG-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 53.14
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)-4-methylpent-4-en-1-ol
CID 105127383
1-cyclopropyl-3-methylbut-3-en-1-ol
CID 79179792
3-methyl-1-(oxan-4-yl)but-3-en-1-ol
CID 79178251
1-(3-bicyclo[3.1.0]hexanyl)-3-methylbut-3-en-1-ol
CID 115816829
1-(2,2-dimethylcyclopentyl)-3-methylbut-3-en-1-ol
CID 107192586
4-methylpent-4-en-2-ylcyclopropane
CID 123136187
3-methyl-1-(oxan-3-yl)but-3-en-1-ol
CID 79178468
1-(3-ethylcyclohexyl)-3-methylbut-3-en-1-ol
CID 79177597
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
1-(4,4-dimethylcyclohexyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 79185954

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-ol?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-ol (CID 105110086) is 1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-ol.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-ol?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-ol is C=C(C)CC(O)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-ol?
The InChIKey is ATNAVVCGWOCNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2O/c1-8(2)7-10(14)9-3-5-11(12,13)6-4-9/h9-10,14H,1,3-7H2,2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-ol?
1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-ol has a molecular weight of 204.26 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-ol is sourced from PubChem (CID 105110086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).