(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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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).