2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride

C10H8ClFO — CID 45081780

IUPAC2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride
SMILESO=C(Cl)C1CC1c1ccc(F)cc1
InChIInChI=1S/C10H8ClFO/c11-10(13)9-5-8(9)6-1-3-7(12)4-2-6/h1-4,8-9H,5H2
InChIKeyQLMYVJCJGFUQIQ-UHFFFAOYSA-N
MW198.62 g/mol
LogP2.69
Rot. Bonds2

About 2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride

2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride (PubChem CID 45081780) has the molecular formula C10H8ClFO and a molecular weight of 198.62 g/mol. Its IUPAC name is 2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride
PubChem CID45081780
Molecular FormulaC10H8ClFO
Molecular Weight198.62 g/mol
Exact Mass198.02
IUPAC Name2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride
SMILESO=C(Cl)C1CC1c1ccc(F)cc1
InChIInChI=1S/C10H8ClFO/c11-10(13)9-5-8(9)6-1-3-7(12)4-2-6/h1-4,8-9H,5H2
InChIKeyQLMYVJCJGFUQIQ-UHFFFAOYSA-N
XLogP2.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.62
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 66485215
2-[6-(4-fluorophenyl)-3-pyridinyl]cyclopropane-1-carbonyl chloride
CID 87545136
N-(diaminomethylidene)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 54517711
[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-[(1R,5S)-9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl]methanone
CID 129432946
(NZ)-N-[1-[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]ethylidene]hydroxylamine
CID 42018488
[2-(4-fluorophenyl)cyclopropyl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559905
(3S,4S)-1-[2-(4-fluorophenyl)cyclopropanecarbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950290
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 94525636
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanone
CID 51896883
[2-(4-fluorophenyl)cyclopropyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429835
[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 94532765
2-[cyclopropyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119202970

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride?
The IUPAC name of 2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride (CID 45081780) is 2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride.
What is the SMILES notation for 2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride?
The canonical SMILES for 2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride is O=C(Cl)C1CC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride?
The InChIKey is QLMYVJCJGFUQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFO/c11-10(13)9-5-8(9)6-1-3-7(12)4-2-6/h1-4,8-9H,5H2.
What are the key properties of 2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride?
2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride has a molecular weight of 198.62 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride is sourced from PubChem (CID 45081780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).