(4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone

C16H12ClFO — CID 116517023

IUPAC(4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone
SMILESO=C(c1ccc(Cl)cc1F)C1CC1c1ccccc1
InChIInChI=1S/C16H12ClFO/c17-11-6-7-12(15(18)8-11)16(19)14-9-13(14)10-4-2-1-3-5-10/h1-8,13-14H,9H2
InChIKeyGHBCCQWHCREDTM-UHFFFAOYSA-N
MW274.72 g/mol
LogP4.47
Rot. Bonds3

About (4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone

(4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone (PubChem CID 116517023) has the molecular formula C16H12ClFO and a molecular weight of 274.72 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone
PubChem CID116517023
Molecular FormulaC16H12ClFO
Molecular Weight274.72 g/mol
Exact Mass274.06
IUPAC Name(4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone
SMILESO=C(c1ccc(Cl)cc1F)C1CC1c1ccccc1
InChIInChI=1S/C16H12ClFO/c17-11-6-7-12(15(18)8-11)16(19)14-9-13(14)10-4-2-1-3-5-10/h1-8,13-14H,9H2
InChIKeyGHBCCQWHCREDTM-UHFFFAOYSA-N
XLogP4.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone (CID 116517023) is (4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone is O=C(c1ccc(Cl)cc1F)C1CC1c1ccccc1.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone?
The InChIKey is GHBCCQWHCREDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFO/c17-11-6-7-12(15(18)8-11)16(19)14-9-13(14)10-4-2-1-3-5-10/h1-8,13-14H,9H2.
What are the key properties of (4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone?
(4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone has a molecular weight of 274.72 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 116517023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).