1-chloro-3-[1-(difluoromethyl)cyclopropyl]benzene

C10H9ClF2 — CID 84721508

IUPAC1-chloro-3-[1-(difluoromethyl)cyclopropyl]benzene
SMILESFC(F)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C10H9ClF2/c11-8-3-1-2-7(6-8)10(4-5-10)9(12)13/h1-3,6,9H,4-5H2
InChIKeyJZZUCICPVAVNBS-UHFFFAOYSA-N
MW202.63 g/mol
LogP3.64
Rot. Bonds2

About 1-chloro-3-[1-(difluoromethyl)cyclopropyl]benzene

1-chloro-3-[1-(difluoromethyl)cyclopropyl]benzene (PubChem CID 84721508) has the molecular formula C10H9ClF2 and a molecular weight of 202.63 g/mol. Its IUPAC name is 1-chloro-3-[1-(difluoromethyl)cyclopropyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[1-(difluoromethyl)cyclopropyl]benzene
PubChem CID84721508
Molecular FormulaC10H9ClF2
Molecular Weight202.63 g/mol
Exact Mass202.04
IUPAC Name1-chloro-3-[1-(difluoromethyl)cyclopropyl]benzene
SMILESFC(F)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C10H9ClF2/c11-8-3-1-2-7(6-8)10(4-5-10)9(12)13/h1-3,6,9H,4-5H2
InChIKeyJZZUCICPVAVNBS-UHFFFAOYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.63
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-(3-chlorophenyl)-4-(difluoromethyl)piperidine
CID 84737368
1-[1-(difluoromethyl)cyclohexyl]-3-fluorobenzene
CID 84726019
1-[3-[1-(difluoromethyl)cyclopropyl]phenyl]ethanone
CID 84723110
3-(3-chlorophenyl)-3-propan-2-ylpyrrolidine
CID 83891535
1-chloro-4-[1-(difluoromethyl)cyclohexyl]benzene
CID 84728475
1-chloro-3-(1-methylcyclopropyl)benzene;ethane
CID 171088326
(3-chlorophenyl)-(1-phenylcyclopropyl)methanamine
CID 63079140
bis[1-(3-chlorophenyl)cyclopropyl]methanone
CID 141485401
1-(3-chlorophenyl)-3,3-difluorocyclopentan-1-amine
CID 115038563
1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine
CID 105471866
5-(3-chlorophenyl)spiro[2.3]hexan-5-amine
CID 65008597
2-(bromomethyl)-4-chloro-1-[1-(difluoromethyl)cyclopropyl]benzene
CID 118117042

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[1-(difluoromethyl)cyclopropyl]benzene?
The IUPAC name of 1-chloro-3-[1-(difluoromethyl)cyclopropyl]benzene (CID 84721508) is 1-chloro-3-[1-(difluoromethyl)cyclopropyl]benzene.
What is the SMILES notation for 1-chloro-3-[1-(difluoromethyl)cyclopropyl]benzene?
The canonical SMILES for 1-chloro-3-[1-(difluoromethyl)cyclopropyl]benzene is FC(F)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-chloro-3-[1-(difluoromethyl)cyclopropyl]benzene?
The InChIKey is JZZUCICPVAVNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2/c11-8-3-1-2-7(6-8)10(4-5-10)9(12)13/h1-3,6,9H,4-5H2.
What are the key properties of 1-chloro-3-[1-(difluoromethyl)cyclopropyl]benzene?
1-chloro-3-[1-(difluoromethyl)cyclopropyl]benzene has a molecular weight of 202.63 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[1-(difluoromethyl)cyclopropyl]benzene is sourced from PubChem (CID 84721508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).