(1S)-2-cyclohexyl-1-fluoro-3-methyl-2-(2-methylprop-1-enyl)bicyclo[1.1.0]butane

C15H23F — CID 70882818

IUPAC(1S)-2-cyclohexyl-1-fluoro-3-methyl-2-(2-methylprop-1-enyl)bicyclo[1.1.0]butane
SMILESCC(C)=CC1(C2CCCCC2)C2(C)C[C@]21F
InChIInChI=1S/C15H23F/c1-11(2)9-14(12-7-5-4-6-8-12)13(3)10-15(13,14)16/h9,12H,4-8,10H2,1-3H3/t13?,14?,15-/m0/s1
InChIKeyJKBISGGSNJBDMX-NRXISQOPSA-N
MW222.35 g/mol
LogP4.65
Rot. Bonds2

About (1S)-2-cyclohexyl-1-fluoro-3-methyl-2-(2-methylprop-1-enyl)bicyclo[1.1.0]butane

(1S)-2-cyclohexyl-1-fluoro-3-methyl-2-(2-methylprop-1-enyl)bicyclo[1.1.0]butane (PubChem CID 70882818) has the molecular formula C15H23F and a molecular weight of 222.35 g/mol. Its IUPAC name is (1S)-2-cyclohexyl-1-fluoro-3-methyl-2-(2-methylprop-1-enyl)bicyclo[1.1.0]butane.

Molecular Properties

Compound Name(1S)-2-cyclohexyl-1-fluoro-3-methyl-2-(2-methylprop-1-enyl)bicyclo[1.1.0]butane
PubChem CID70882818
Molecular FormulaC15H23F
Molecular Weight222.35 g/mol
Exact Mass222.18
IUPAC Name(1S)-2-cyclohexyl-1-fluoro-3-methyl-2-(2-methylprop-1-enyl)bicyclo[1.1.0]butane
SMILESCC(C)=CC1(C2CCCCC2)C2(C)C[C@]21F
InChIInChI=1S/C15H23F/c1-11(2)9-14(12-7-5-4-6-8-12)13(3)10-15(13,14)16/h9,12H,4-8,10H2,1-3H3/t13?,14?,15-/m0/s1
InChIKeyJKBISGGSNJBDMX-NRXISQOPSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1S)-2-cyclohexyl-1-fluoro-3-methyl-2-(2-methylprop-1-enyl)bicyclo[1.1.0]butane with MolForge

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Related Compounds

[(2S)-2-fluoro-3-methyl-1-(2-methylprop-1-enyl)cyclopropyl]cyclohexane
CID 68396736
8-Fluoro-3,6,10-trimethyltricyclo[8.1.0.02,4]undeca-4,7-diene
CID 123488534
2-Ethylidene-1-(3-fluoropentyl)-1,3-dimethylcyclopropane
CID 123870150
3-Tert-butyl-1-cyclopropyl-6-fluoro-6-methylcyclohexene
CID 130402077
6-fluoro-1,1-dimethyl-2,3,5,6,7,8-hexahydro-1aH-cyclopropa[j]naphthalene
CID 144273760
(2Z)-1-(cyclopropen-1-yl)-2-(cyclopropylmethylidene)-3-(3-fluoro-4-methylpent-4-en-2-yl)cyclopropane
CID 163455886
2-[(3E)-10-cyclopropyl-3,5,8,11-tetrakis(trifluoromethyl)cycloundec-3-en-1-yl]spiro[2.3]hexane
CID 163916433
4-[(3-Fluoro-1,2,3-trimethylcyclobutyl)methyl]cyclohexene
CID 166922428
1-(2,2-difluoropropyl)-2-ethyl-3-[(Z)-6-ethyl-8-methylnon-2-en-3-yl]bicyclo[1.1.0]butane
CID 166925535
3-Cyclopropyl-1-(2-fluoroethyl)-3-propan-2-ylcycloheptene
CID 170005811
(4R)-1-cyclopropyl-3-fluoro-3,4-dimethyl-4-[(2R)-3-methylbutan-2-yl]cyclobutene
CID 173949887
CID 14027194
CID 14027194

Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclohexyl-1-fluoro-3-methyl-2-(2-methylprop-1-enyl)bicyclo[1.1.0]butane?
The IUPAC name of (1S)-2-cyclohexyl-1-fluoro-3-methyl-2-(2-methylprop-1-enyl)bicyclo[1.1.0]butane (CID 70882818) is (1S)-2-cyclohexyl-1-fluoro-3-methyl-2-(2-methylprop-1-enyl)bicyclo[1.1.0]butane.
What is the SMILES notation for (1S)-2-cyclohexyl-1-fluoro-3-methyl-2-(2-methylprop-1-enyl)bicyclo[1.1.0]butane?
The canonical SMILES for (1S)-2-cyclohexyl-1-fluoro-3-methyl-2-(2-methylprop-1-enyl)bicyclo[1.1.0]butane is CC(C)=CC1(C2CCCCC2)C2(C)C[C@]21F.
What is the InChIKey of (1S)-2-cyclohexyl-1-fluoro-3-methyl-2-(2-methylprop-1-enyl)bicyclo[1.1.0]butane?
The InChIKey is JKBISGGSNJBDMX-NRXISQOPSA-N. The full InChI is InChI=1S/C15H23F/c1-11(2)9-14(12-7-5-4-6-8-12)13(3)10-15(13,14)16/h9,12H,4-8,10H2,1-3H3/t13?,14?,15-/m0/s1.
What are the key properties of (1S)-2-cyclohexyl-1-fluoro-3-methyl-2-(2-methylprop-1-enyl)bicyclo[1.1.0]butane?
(1S)-2-cyclohexyl-1-fluoro-3-methyl-2-(2-methylprop-1-enyl)bicyclo[1.1.0]butane has a molecular weight of 222.35 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclohexyl-1-fluoro-3-methyl-2-(2-methylprop-1-enyl)bicyclo[1.1.0]butane is sourced from PubChem (CID 70882818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).