(3-fluorophenyl)-(2-methylcyclopropyl)methanone

C11H11FO — CID 65421676

IUPAC(3-fluorophenyl)-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)c1cccc(F)c1
InChIInChI=1S/C11H11FO/c1-7-5-10(7)11(13)8-3-2-4-9(12)6-8/h2-4,6-7,10H,5H2,1H3
InChIKeyRPGYAVCWLCGWSK-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.66
Rot. Bonds2

About (3-fluorophenyl)-(2-methylcyclopropyl)methanone

(3-fluorophenyl)-(2-methylcyclopropyl)methanone (PubChem CID 65421676) has the molecular formula C11H11FO and a molecular weight of 178.21 g/mol. Its IUPAC name is (3-fluorophenyl)-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(2-methylcyclopropyl)methanone
PubChem CID65421676
Molecular FormulaC11H11FO
Molecular Weight178.21 g/mol
Exact Mass178.08
IUPAC Name(3-fluorophenyl)-(2-methylcyclopropyl)methanone
SMILESCC1CC1C(=O)c1cccc(F)c1
InChIInChI=1S/C11H11FO/c1-7-5-10(7)11(13)8-3-2-4-9(12)6-8/h2-4,6-7,10H,5H2,1H3
InChIKeyRPGYAVCWLCGWSK-UHFFFAOYSA-N
XLogP2.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-methylcyclopropyl)-(3-methylphenyl)methanone
CID 65420816
tert-butyl 2-(3-fluorobenzoyl)cyclopropane-1-carboxylate
CID 54203186
trans-(1R,2R)-2-(3-fluorobenzoyl)cyclohexane-1-carboxylic acid
CID 24722440
(3-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 114962696
cyclohexyl-(3-fluorophenyl)methanone
CID 24724195
3-(3,4-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 79183544
1-amino-2-(3-fluorobenzoyl)cyclopropane-1-carboxylic acid
CID 54496453
(3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662297
(3-fluorophenyl)-(4-methylthiomorpholin-3-yl)methanone
CID 103595300
1-(3-fluorophenyl)-2-methylprop-2-en-1-one
CID 11159505
3-fluorobenzoyl bromide
CID 20822510
[(3R,5S)-1-[2-(dimethylamino)ethyl]-4-(2,3-dimethylphenyl)-5-(3-fluorobenzoyl)piperidin-3-yl]-(3-fluorophenyl)methanone
CID 68880558

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(2-methylcyclopropyl)methanone?
The IUPAC name of (3-fluorophenyl)-(2-methylcyclopropyl)methanone (CID 65421676) is (3-fluorophenyl)-(2-methylcyclopropyl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(2-methylcyclopropyl)methanone?
The canonical SMILES for (3-fluorophenyl)-(2-methylcyclopropyl)methanone is CC1CC1C(=O)c1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)-(2-methylcyclopropyl)methanone?
The InChIKey is RPGYAVCWLCGWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO/c1-7-5-10(7)11(13)8-3-2-4-9(12)6-8/h2-4,6-7,10H,5H2,1H3.
What are the key properties of (3-fluorophenyl)-(2-methylcyclopropyl)methanone?
(3-fluorophenyl)-(2-methylcyclopropyl)methanone has a molecular weight of 178.21 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 65421676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).