(2-fluoro-1-methylcyclopropyl)-(3-methylphenyl)methanone

C12H13FO — CID 131000877

IUPAC(2-fluoro-1-methylcyclopropyl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)C2(C)CC2F)c1
InChIInChI=1S/C12H13FO/c1-8-4-3-5-9(6-8)11(14)12(2)7-10(12)13/h3-6,10H,7H2,1-2H3
InChIKeyWQDAFPQITREIAQ-UHFFFAOYSA-N
MW192.23 g/mol
LogP2.93
Rot. Bonds2

About (2-fluoro-1-methylcyclopropyl)-(3-methylphenyl)methanone

(2-fluoro-1-methylcyclopropyl)-(3-methylphenyl)methanone (PubChem CID 131000877) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is (2-fluoro-1-methylcyclopropyl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(2-fluoro-1-methylcyclopropyl)-(3-methylphenyl)methanone
PubChem CID131000877
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name(2-fluoro-1-methylcyclopropyl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)C2(C)CC2F)c1
InChIInChI=1S/C12H13FO/c1-8-4-3-5-9(6-8)11(14)12(2)7-10(12)13/h3-6,10H,7H2,1-2H3
InChIKeyWQDAFPQITREIAQ-UHFFFAOYSA-N
XLogP2.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(3-methylphenyl)methanone
CID 17848
(1-aminocyclobutyl)-(3-methylphenyl)methanone
CID 116598453
(1-hydroxycyclohexyl)-(3-methylphenyl)methanone
CID 103449690
3-methylbenzoic acid
CID 7418
(3-methylbenzoyl)azanium
CID 153183849
(3-methylphenyl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 2928751
3-methylbenzenecarboselenoic Se-acid
CID 166513879
3-methylbenzoic acid;nitrous acid
CID 175097452
2-(1,3-dioxolan-2-yl)-1-(3-methylphenyl)ethanone
CID 66570584
3-(3-methylbenzoyl)oxetane-3-carboxylic acid
CID 116922434
3-methyl-N-[(1R,2R)-2-[(3-methylbenzoyl)amino]cyclohexyl]benzamide
CID 1011123
[1-(dimethylamino)cyclohexyl]-(3-methylphenyl)methanone
CID 79066640

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-1-methylcyclopropyl)-(3-methylphenyl)methanone?
The IUPAC name of (2-fluoro-1-methylcyclopropyl)-(3-methylphenyl)methanone (CID 131000877) is (2-fluoro-1-methylcyclopropyl)-(3-methylphenyl)methanone.
What is the SMILES notation for (2-fluoro-1-methylcyclopropyl)-(3-methylphenyl)methanone?
The canonical SMILES for (2-fluoro-1-methylcyclopropyl)-(3-methylphenyl)methanone is Cc1cccc(C(=O)C2(C)CC2F)c1.
What is the InChIKey of (2-fluoro-1-methylcyclopropyl)-(3-methylphenyl)methanone?
The InChIKey is WQDAFPQITREIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c1-8-4-3-5-9(6-8)11(14)12(2)7-10(12)13/h3-6,10H,7H2,1-2H3.
What are the key properties of (2-fluoro-1-methylcyclopropyl)-(3-methylphenyl)methanone?
(2-fluoro-1-methylcyclopropyl)-(3-methylphenyl)methanone has a molecular weight of 192.23 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-1-methylcyclopropyl)-(3-methylphenyl)methanone is sourced from PubChem (CID 131000877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).