(2-chloro-6-fluorophenyl)-(2,2-dimethylcyclopropyl)methanone

C12H12ClFO — CID 130512079

IUPAC(2-chloro-6-fluorophenyl)-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C12H12ClFO/c1-12(2)6-7(12)11(15)10-8(13)4-3-5-9(10)14/h3-5,7H,6H2,1-2H3
InChIKeyHQPSMFILBJCOSP-UHFFFAOYSA-N
MW226.68 g/mol
LogP3.71
Rot. Bonds2

About (2-chloro-6-fluorophenyl)-(2,2-dimethylcyclopropyl)methanone

(2-chloro-6-fluorophenyl)-(2,2-dimethylcyclopropyl)methanone (PubChem CID 130512079) has the molecular formula C12H12ClFO and a molecular weight of 226.68 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(2,2-dimethylcyclopropyl)methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(2,2-dimethylcyclopropyl)methanone
PubChem CID130512079
Molecular FormulaC12H12ClFO
Molecular Weight226.68 g/mol
Exact Mass226.06
IUPAC Name(2-chloro-6-fluorophenyl)-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)c1c(F)cccc1Cl
InChIInChI=1S/C12H12ClFO/c1-12(2)6-7(12)11(15)10-8(13)4-3-5-9(10)14/h3-5,7H,6H2,1-2H3
InChIKeyHQPSMFILBJCOSP-UHFFFAOYSA-N
XLogP3.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-6-fluorophenyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 115784651
2-(2,6-difluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanone
CID 107001810
3-(2-chloro-6-fluorobenzoyl)cyclohexan-1-one
CID 79624962
2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine
CID 107001824
(2-chloro-6-fluorophenyl)-(4,4-dimethyl-1,3-oxazolidin-3-yl)methanone
CID 110740647
2-chloro-N-(2-chlorocyclohexyl)-6-fluoro-N-methylbenzamide
CID 102637966
(2-chloro-6-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749738
2-amino-1-(2-chloro-6-fluorophenyl)ethanone
CID 65179390
(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-chloro-6-fluorophenyl)methanone
CID 61235156
(2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 139023381
4-(2-chloro-6-fluorobenzoyl)piperazine-2,6-dione
CID 66083390
1-[(2-chloro-6-fluorobenzoyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43163129

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(2,2-dimethylcyclopropyl)methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-(2,2-dimethylcyclopropyl)methanone (CID 130512079) is (2-chloro-6-fluorophenyl)-(2,2-dimethylcyclopropyl)methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(2,2-dimethylcyclopropyl)methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(2,2-dimethylcyclopropyl)methanone is CC1(C)CC1C(=O)c1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(2,2-dimethylcyclopropyl)methanone?
The InChIKey is HQPSMFILBJCOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFO/c1-12(2)6-7(12)11(15)10-8(13)4-3-5-9(10)14/h3-5,7H,6H2,1-2H3.
What are the key properties of (2-chloro-6-fluorophenyl)-(2,2-dimethylcyclopropyl)methanone?
(2-chloro-6-fluorophenyl)-(2,2-dimethylcyclopropyl)methanone has a molecular weight of 226.68 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(2,2-dimethylcyclopropyl)methanone is sourced from PubChem (CID 130512079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).