1-chloro-4-(2,2-difluorocyclopropyl)-2-fluorobenzene

C9H6ClF3 — CID 166607377

IUPAC1-chloro-4-(2,2-difluorocyclopropyl)-2-fluorobenzene
SMILESFc1cc(C2CC2(F)F)ccc1Cl
InChIInChI=1S/C9H6ClF3/c10-7-2-1-5(3-8(7)11)6-4-9(6,12)13/h1-3,6H,4H2
InChIKeyROMHIYXGRCAHCF-UHFFFAOYSA-N
MW206.59 g/mol
LogP3.60
Rot. Bonds1

About 1-chloro-4-(2,2-difluorocyclopropyl)-2-fluorobenzene

1-chloro-4-(2,2-difluorocyclopropyl)-2-fluorobenzene (PubChem CID 166607377) has the molecular formula C9H6ClF3 and a molecular weight of 206.59 g/mol. Its IUPAC name is 1-chloro-4-(2,2-difluorocyclopropyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-4-(2,2-difluorocyclopropyl)-2-fluorobenzene
PubChem CID166607377
Molecular FormulaC9H6ClF3
Molecular Weight206.59 g/mol
Exact Mass206.01
IUPAC Name1-chloro-4-(2,2-difluorocyclopropyl)-2-fluorobenzene
SMILESFc1cc(C2CC2(F)F)ccc1Cl
InChIInChI=1S/C9H6ClF3/c10-7-2-1-5(3-8(7)11)6-4-9(6,12)13/h1-3,6H,4H2
InChIKeyROMHIYXGRCAHCF-UHFFFAOYSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.59
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[2-(bromomethyl)cyclopropyl]-1-chloro-2-fluorobenzene
CID 81350329
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CID 171188409
4-(4-chloro-3-fluorophenyl)cyclohexan-1-one
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6-(4-chloro-3-fluorophenyl)-2,2-dimethylpiperazine
CID 82386691
3-(4-chloro-3-fluorophenyl)cyclopentan-1-one
CID 130044708
methyl 3-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxylate
CID 139381558
3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
CID 107889770
2-(4-chloro-3-fluorophenyl)-1,3-thiazinane
CID 66219496
(2R,5S)-2-(4-chloro-3-fluorophenyl)-5-methylpiperidine
CID 170904340
4-(4-chloro-3-fluorophenyl)-3-(4-chlorophenyl)piperidine
CID 79433397
1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene
CID 52630352
(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 124526744

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2,2-difluorocyclopropyl)-2-fluorobenzene?
The IUPAC name of 1-chloro-4-(2,2-difluorocyclopropyl)-2-fluorobenzene (CID 166607377) is 1-chloro-4-(2,2-difluorocyclopropyl)-2-fluorobenzene.
What is the SMILES notation for 1-chloro-4-(2,2-difluorocyclopropyl)-2-fluorobenzene?
The canonical SMILES for 1-chloro-4-(2,2-difluorocyclopropyl)-2-fluorobenzene is Fc1cc(C2CC2(F)F)ccc1Cl.
What is the InChIKey of 1-chloro-4-(2,2-difluorocyclopropyl)-2-fluorobenzene?
The InChIKey is ROMHIYXGRCAHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF3/c10-7-2-1-5(3-8(7)11)6-4-9(6,12)13/h1-3,6H,4H2.
What are the key properties of 1-chloro-4-(2,2-difluorocyclopropyl)-2-fluorobenzene?
1-chloro-4-(2,2-difluorocyclopropyl)-2-fluorobenzene has a molecular weight of 206.59 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2,2-difluorocyclopropyl)-2-fluorobenzene is sourced from PubChem (CID 166607377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).