2-chloro-4-fluoro-5-methylidenecyclohexan-1-ol

C7H10ClFO — CID 91430722

IUPAC2-chloro-4-fluoro-5-methylidenecyclohexan-1-ol
SMILESC=C1CC(O)C(Cl)CC1F
InChIInChI=1S/C7H10ClFO/c1-4-2-7(10)5(8)3-6(4)9/h5-7,10H,1-3H2
InChIKeyABWCGBJIMQTTSF-UHFFFAOYSA-N
MW164.61 g/mol
LogP1.64
Rot. Bonds

About 2-chloro-4-fluoro-5-methylidenecyclohexan-1-ol

2-chloro-4-fluoro-5-methylidenecyclohexan-1-ol (PubChem CID 91430722) has the molecular formula C7H10ClFO and a molecular weight of 164.61 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-methylidenecyclohexan-1-ol.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-methylidenecyclohexan-1-ol
PubChem CID91430722
Molecular FormulaC7H10ClFO
Molecular Weight164.61 g/mol
Exact Mass164.04
IUPAC Name2-chloro-4-fluoro-5-methylidenecyclohexan-1-ol
SMILESC=C1CC(O)C(Cl)CC1F
InChIInChI=1S/C7H10ClFO/c1-4-2-7(10)5(8)3-6(4)9/h5-7,10H,1-3H2
InChIKeyABWCGBJIMQTTSF-UHFFFAOYSA-N
XLogP1.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.61
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-4-fluoro-5-methylidenecyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-5-fluoro-4-methylidene-2-prop-2-ynoxycyclohexane
CID 91530423
2-chloro-4-fluorocyclopentan-1-ol
CID 174283039
2-chloro-4-fluoro-N-(2-methoxyethyl)-5-methylidenecyclohexane-1-carboxamide
CID 91580238
2-ethenylcyclopropan-1-ol
CID 54500145
N-(2-chloro-5-fluoro-4-methylidenecyclohexyl)-1-benzothiophene-3-carboxamide
CID 90769889
1,3,5-trifluoro-2-methylidenecyclohexane
CID 123193679
(1S,2S,4S,5S)-1,2,4,5-tetrachlorocyclohexane
CID 91753323
(2R)-6-methylidenebicyclo[2.2.1]heptan-2-ol
CID 135013318
(3Z,5S)-3-(2-chloroethylidene)-5-fluoro-4-methylidenecyclohexan-1-ol
CID 89090716
4-chloro-2-cyclopropyl-6-fluoro-7-methylidene-4,5,6,7a-tetrahydro-3aH-1,3-benzoxazole
CID 90701663
1,2,3,4-tetrachloro-5-methylidenecyclohexane
CID 90888986
(1R,2R,4S)-6-methylidenebicyclo[2.2.2]octan-2-ol
CID 13196985

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-5-methylidenecyclohexan-1-ol?
The IUPAC name of 2-chloro-4-fluoro-5-methylidenecyclohexan-1-ol (CID 91430722) is 2-chloro-4-fluoro-5-methylidenecyclohexan-1-ol.
What is the SMILES notation for 2-chloro-4-fluoro-5-methylidenecyclohexan-1-ol?
The canonical SMILES for 2-chloro-4-fluoro-5-methylidenecyclohexan-1-ol is C=C1CC(O)C(Cl)CC1F.
What is the InChIKey of 2-chloro-4-fluoro-5-methylidenecyclohexan-1-ol?
The InChIKey is ABWCGBJIMQTTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClFO/c1-4-2-7(10)5(8)3-6(4)9/h5-7,10H,1-3H2.
What are the key properties of 2-chloro-4-fluoro-5-methylidenecyclohexan-1-ol?
2-chloro-4-fluoro-5-methylidenecyclohexan-1-ol has a molecular weight of 164.61 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-methylidenecyclohexan-1-ol is sourced from PubChem (CID 91430722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).