1-[4-[2-(fluoromethyl)cyclopropyl]phenyl]ethanone

C12H13FO — CID 115019013

IUPAC1-[4-[2-(fluoromethyl)cyclopropyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C2CC2CF)cc1
InChIInChI=1S/C12H13FO/c1-8(14)9-2-4-10(5-3-9)12-6-11(12)7-13/h2-5,11-12H,6-7H2,1H3
InChIKeyOMLQHLICVWBPNH-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.96
Rot. Bonds3

About 1-[4-[2-(fluoromethyl)cyclopropyl]phenyl]ethanone

1-[4-[2-(fluoromethyl)cyclopropyl]phenyl]ethanone (PubChem CID 115019013) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 1-[4-[2-(fluoromethyl)cyclopropyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(fluoromethyl)cyclopropyl]phenyl]ethanone
PubChem CID115019013
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name1-[4-[2-(fluoromethyl)cyclopropyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C2CC2CF)cc1
InChIInChI=1S/C12H13FO/c1-8(14)9-2-4-10(5-3-9)12-6-11(12)7-13/h2-5,11-12H,6-7H2,1H3
InChIKeyOMLQHLICVWBPNH-UHFFFAOYSA-N
XLogP2.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]ethanone
CID 10561809
1-[4-(2-phenylcyclopropyl)phenyl]ethanone
CID 4663286
1-[4-(2-fluorocyclobutyl)phenyl]ethanone
CID 115019007
N-[[(1R,2S)-2-(4-acetylphenyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 72946592
1-[4-(3-aminopiperidin-4-yl)phenyl]ethanone
CID 165483276
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-[4-(aziridin-2-yl)phenyl]ethanone
CID 138489509
1-[4-[(3R,4S)-1-benzyl-4-hydroxypyrrolidin-3-yl]phenyl]ethanone
CID 134951863
N-[(2-phenylcyclopropyl)methyl]acetamide
CID 70274109
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
CID 70274106
4-[(1S,2S)-2-aminocyclopropyl]benzoic acid
CID 124506637
1-[4-(2,2-diethoxycyclopropyl)phenyl]ethanone
CID 12557067

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(fluoromethyl)cyclopropyl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(fluoromethyl)cyclopropyl]phenyl]ethanone (CID 115019013) is 1-[4-[2-(fluoromethyl)cyclopropyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(fluoromethyl)cyclopropyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(fluoromethyl)cyclopropyl]phenyl]ethanone is CC(=O)c1ccc(C2CC2CF)cc1.
What is the InChIKey of 1-[4-[2-(fluoromethyl)cyclopropyl]phenyl]ethanone?
The InChIKey is OMLQHLICVWBPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-8(14)9-2-4-10(5-3-9)12-6-11(12)7-13/h2-5,11-12H,6-7H2,1H3.
What are the key properties of 1-[4-[2-(fluoromethyl)cyclopropyl]phenyl]ethanone?
1-[4-[2-(fluoromethyl)cyclopropyl]phenyl]ethanone has a molecular weight of 192.23 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(fluoromethyl)cyclopropyl]phenyl]ethanone is sourced from PubChem (CID 115019013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).