(4-fluorophenyl)-[1-(hydroxymethyl)cyclopropyl]methanone

C11H11FO2 — CID 116921067

IUPAC(4-fluorophenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
SMILESO=C(c1ccc(F)cc1)C1(CO)CC1
InChIInChI=1S/C11H11FO2/c12-9-3-1-8(2-4-9)10(14)11(7-13)5-6-11/h1-4,13H,5-7H2
InChIKeyVCWOQZFJSJTEGX-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.78
Rot. Bonds3

About (4-fluorophenyl)-[1-(hydroxymethyl)cyclopropyl]methanone

(4-fluorophenyl)-[1-(hydroxymethyl)cyclopropyl]methanone (PubChem CID 116921067) has the molecular formula C11H11FO2 and a molecular weight of 194.21 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-(hydroxymethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
PubChem CID116921067
Molecular FormulaC11H11FO2
Molecular Weight194.21 g/mol
Exact Mass194.07
IUPAC Name(4-fluorophenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
SMILESO=C(c1ccc(F)cc1)C1(CO)CC1
InChIInChI=1S/C11H11FO2/c12-9-3-1-8(2-4-9)10(14)11(7-13)5-6-11/h1-4,13H,5-7H2
InChIKeyVCWOQZFJSJTEGX-UHFFFAOYSA-N
XLogP1.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclohexylphenyl)-[1-(hydroxymethyl)cyclopropyl]methanone
CID 116921091
N-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclopropane-1-carboxamide
CID 115182311
[(1R,2R)-1,2-diamino-2-(4-fluorobenzoyl)cyclohexyl]-(4-fluorophenyl)methanone
CID 175763993
[1-(hydroxymethyl)cyclobutyl]-[4-(2-methylpropyl)phenyl]methanone
CID 116921925
1-(4-fluorophenyl)-2-(1-methylcyclopropyl)ethanone
CID 130987809
[3-ethyl-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone
CID 11336840
4-fluorobenzoic acid;pyrrolidine-2,5-dione
CID 174629603
[3-(hydroxymethyl)oxetan-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 116996913
4-(4-fluorobenzoyl)-4-methylpiperidine-1-carboxylic acid
CID 69121595
N-[2-(4-fluorophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182483
(1-ethoxycyclohexyl)-(4-fluorophenyl)methanone
CID 116748423
N-[1-(4-fluorobenzoyl)cyclopropyl]ethanesulfonamide
CID 167912369

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-(hydroxymethyl)cyclopropyl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-(hydroxymethyl)cyclopropyl]methanone (CID 116921067) is (4-fluorophenyl)-[1-(hydroxymethyl)cyclopropyl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-(hydroxymethyl)cyclopropyl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-(hydroxymethyl)cyclopropyl]methanone is O=C(c1ccc(F)cc1)C1(CO)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-(hydroxymethyl)cyclopropyl]methanone?
The InChIKey is VCWOQZFJSJTEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2/c12-9-3-1-8(2-4-9)10(14)11(7-13)5-6-11/h1-4,13H,5-7H2.
What are the key properties of (4-fluorophenyl)-[1-(hydroxymethyl)cyclopropyl]methanone?
(4-fluorophenyl)-[1-(hydroxymethyl)cyclopropyl]methanone has a molecular weight of 194.21 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-(hydroxymethyl)cyclopropyl]methanone is sourced from PubChem (CID 116921067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).