1-chloro-2-[1-(1-fluoroethyl)cyclopropyl]benzene

C11H12ClF — CID 84721034

IUPAC1-chloro-2-[1-(1-fluoroethyl)cyclopropyl]benzene
SMILESCC(F)C1(c2ccccc2Cl)CC1
InChIInChI=1S/C11H12ClF/c1-8(13)11(6-7-11)9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3
InChIKeyOBBHMNVRIFTBGV-UHFFFAOYSA-N
MW198.67 g/mol
LogP3.73
Rot. Bonds2

About 1-chloro-2-[1-(1-fluoroethyl)cyclopropyl]benzene

1-chloro-2-[1-(1-fluoroethyl)cyclopropyl]benzene (PubChem CID 84721034) has the molecular formula C11H12ClF and a molecular weight of 198.67 g/mol. Its IUPAC name is 1-chloro-2-[1-(1-fluoroethyl)cyclopropyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[1-(1-fluoroethyl)cyclopropyl]benzene
PubChem CID84721034
Molecular FormulaC11H12ClF
Molecular Weight198.67 g/mol
Exact Mass198.06
IUPAC Name1-chloro-2-[1-(1-fluoroethyl)cyclopropyl]benzene
SMILESCC(F)C1(c2ccccc2Cl)CC1
InChIInChI=1S/C11H12ClF/c1-8(13)11(6-7-11)9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3
InChIKeyOBBHMNVRIFTBGV-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(2-chlorophenyl)-4-(difluoromethyl)piperidine
CID 84737369
4-(2-chlorophenyl)-4-propan-2-ylpiperidine
CID 83897892
[1-(1-fluoroethyl)cyclopropyl]benzene
CID 84716993
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62596205
2-[1-(1-fluoroethyl)cyclopentyl]benzoic acid
CID 84727333
1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117327900
N-[[1-(2-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 55091372
1-chloro-2-[1-(2-chlorophenyl)cyclopentyl]benzene
CID 142095779
2-(2-chlorophenyl)-2-(2-methylpropyl)azetidine
CID 115058529
1-[3-chloro-2-(1-fluoroethyl)phenyl]cyclobutan-1-amine
CID 117327875
2-(2-chlorophenyl)-4,4-difluoro-2-methylpiperidine
CID 115045643
1-(2-chlorophenyl)-N-(2-hydroxypropyl)cyclopropane-1-carboxamide
CID 110438440

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[1-(1-fluoroethyl)cyclopropyl]benzene?
The IUPAC name of 1-chloro-2-[1-(1-fluoroethyl)cyclopropyl]benzene (CID 84721034) is 1-chloro-2-[1-(1-fluoroethyl)cyclopropyl]benzene.
What is the SMILES notation for 1-chloro-2-[1-(1-fluoroethyl)cyclopropyl]benzene?
The canonical SMILES for 1-chloro-2-[1-(1-fluoroethyl)cyclopropyl]benzene is CC(F)C1(c2ccccc2Cl)CC1.
What is the InChIKey of 1-chloro-2-[1-(1-fluoroethyl)cyclopropyl]benzene?
The InChIKey is OBBHMNVRIFTBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF/c1-8(13)11(6-7-11)9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-chloro-2-[1-(1-fluoroethyl)cyclopropyl]benzene?
1-chloro-2-[1-(1-fluoroethyl)cyclopropyl]benzene has a molecular weight of 198.67 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[1-(1-fluoroethyl)cyclopropyl]benzene is sourced from PubChem (CID 84721034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).