(4R)-5-chloro-3-fluoro-4-methylcyclohexene

C7H10ClF — CID 139317793

IUPAC(4R)-5-chloro-3-fluoro-4-methylcyclohexene
SMILESC[C@@H]1C(F)C=CCC1Cl
InChIInChI=1S/C7H10ClF/c1-5-6(8)3-2-4-7(5)9/h2,4-7H,3H2,1H3/t5-,6?,7?/m0/s1
InChIKeyWFIKJQAMSYRSRG-VTSJMVTISA-N
MW148.61 g/mol
LogP2.53
Rot. Bonds

About (4R)-5-chloro-3-fluoro-4-methylcyclohexene

(4R)-5-chloro-3-fluoro-4-methylcyclohexene (PubChem CID 139317793) has the molecular formula C7H10ClF and a molecular weight of 148.61 g/mol. Its IUPAC name is (4R)-5-chloro-3-fluoro-4-methylcyclohexene.

Molecular Properties

Compound Name(4R)-5-chloro-3-fluoro-4-methylcyclohexene
PubChem CID139317793
Molecular FormulaC7H10ClF
Molecular Weight148.61 g/mol
Exact Mass148.05
IUPAC Name(4R)-5-chloro-3-fluoro-4-methylcyclohexene
SMILESC[C@@H]1C(F)C=CCC1Cl
InChIInChI=1S/C7H10ClF/c1-5-6(8)3-2-4-7(5)9/h2,4-7H,3H2,1H3/t5-,6?,7?/m0/s1
InChIKeyWFIKJQAMSYRSRG-VTSJMVTISA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.61
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(Chloromethyl)cyclohexene
CID 556838
4-(Chloromethyl)cyclohexene
CID 556956
1-(Chloromethyl)-4-prop-1-en-2-ylcyclohexene
CID 11105804
1-Chloro-2-(cyclohex-3-enyl)ethane
CID 12480857
3-(2-Chloroethyl)cyclohexene
CID 13866449
4-Chloro-3-methyl-4,5,5-trifluorocyclohexene
CID 19593685
5-Chloro-6-ethyl-1-fluorocyclohexa-1,3-diene
CID 20777183
1-Chloro-4-trifluoromethylcyclohex-1-ene
CID 22158883
(3S,6S)-3-chloro-1-fluoro-6-propan-2-ylcyclohexene
CID 59606730
6-Chloro-2-fluoro-5-propylcyclohexa-1,3-diene
CID 66612589
6-Chloro-3-fluoro-1-propan-2-ylcyclohexa-1,3-diene
CID 70355974
1-Chloro-5-ethyl-3-fluorocyclohexene
CID 89017361

Frequently Asked Questions

What is the IUPAC name of (4R)-5-chloro-3-fluoro-4-methylcyclohexene?
The IUPAC name of (4R)-5-chloro-3-fluoro-4-methylcyclohexene (CID 139317793) is (4R)-5-chloro-3-fluoro-4-methylcyclohexene.
What is the SMILES notation for (4R)-5-chloro-3-fluoro-4-methylcyclohexene?
The canonical SMILES for (4R)-5-chloro-3-fluoro-4-methylcyclohexene is C[C@@H]1C(F)C=CCC1Cl.
What is the InChIKey of (4R)-5-chloro-3-fluoro-4-methylcyclohexene?
The InChIKey is WFIKJQAMSYRSRG-VTSJMVTISA-N. The full InChI is InChI=1S/C7H10ClF/c1-5-6(8)3-2-4-7(5)9/h2,4-7H,3H2,1H3/t5-,6?,7?/m0/s1.
What are the key properties of (4R)-5-chloro-3-fluoro-4-methylcyclohexene?
(4R)-5-chloro-3-fluoro-4-methylcyclohexene has a molecular weight of 148.61 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-chloro-3-fluoro-4-methylcyclohexene is sourced from PubChem (CID 139317793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).