(4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone

C14H9ClF2O2 — CID 114962814

IUPAC(4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H9ClF2O2/c1-19-13-5-3-2-4-8(13)14(18)9-6-12(17)10(15)7-11(9)16/h2-7H,1H3
InChIKeyRAPYHEIBWVBPLZ-UHFFFAOYSA-N
MW282.67 g/mol
LogP3.86
Rot. Bonds3

About (4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone

(4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone (PubChem CID 114962814) has the molecular formula C14H9ClF2O2 and a molecular weight of 282.67 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone
PubChem CID114962814
Molecular FormulaC14H9ClF2O2
Molecular Weight282.67 g/mol
Exact Mass282.03
IUPAC Name(4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C14H9ClF2O2/c1-19-13-5-3-2-4-8(13)14(18)9-6-12(17)10(15)7-11(9)16/h2-7H,1H3
InChIKeyRAPYHEIBWVBPLZ-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.67
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanone
CID 62946338
(2-fluoro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 43561172
(4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 82783216
(4-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301430
(4-chloro-2,5-difluorophenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 114971329
(2-methoxyphenyl)-(2,4,6-trifluorophenyl)methanone
CID 43338564
(2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 107475698
(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301259
(2,3-dichloro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 14012570
(2-bromophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 62866561
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
(2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone
CID 62649157

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone (CID 114962814) is (4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)c1cc(F)c(Cl)cc1F.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone?
The InChIKey is RAPYHEIBWVBPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O2/c1-19-13-5-3-2-4-8(13)14(18)9-6-12(17)10(15)7-11(9)16/h2-7H,1H3.
What are the key properties of (4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone?
(4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone has a molecular weight of 282.67 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2,5-difluorophenyl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 114962814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).