1-(4-chloro-3-methoxyphenyl)-2-fluoroethanone

C9H8ClFO2 — CID 19436766

IUPAC1-(4-chloro-3-methoxyphenyl)-2-fluoroethanone
SMILESCOc1cc(C(=O)CF)ccc1Cl
InChIInChI=1S/C9H8ClFO2/c1-13-9-4-6(8(12)5-11)2-3-7(9)10/h2-4H,5H2,1H3
InChIKeyKSYCDNCZHWZMSS-UHFFFAOYSA-N
MW202.61 g/mol
LogP2.50
Rot. Bonds3

About 1-(4-chloro-3-methoxyphenyl)-2-fluoroethanone

1-(4-chloro-3-methoxyphenyl)-2-fluoroethanone (PubChem CID 19436766) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-fluoroethanone.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-fluoroethanone
PubChem CID19436766
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-fluoroethanone
SMILESCOc1cc(C(=O)CF)ccc1Cl
InChIInChI=1S/C9H8ClFO2/c1-13-9-4-6(8(12)5-11)2-3-7(9)10/h2-4H,5H2,1H3
InChIKeyKSYCDNCZHWZMSS-UHFFFAOYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.61
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 11460
CID 11460
CID 82719
CID 82719
CID 5337609
CID 5337609
CID 12398450
CID 12398450
CID 5346232
CID 5346232
CID 584765
CID 584765
CID 5346177
CID 5346177
CID 2063378
CID 2063378
CID 520857
CID 520857
CID 12909725
CID 12909725
CID 2803560
CID 2803560
CID 895200
CID 895200

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-fluoroethanone?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-fluoroethanone (CID 19436766) is 1-(4-chloro-3-methoxyphenyl)-2-fluoroethanone.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-fluoroethanone?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-fluoroethanone is COc1cc(C(=O)CF)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-fluoroethanone?
The InChIKey is KSYCDNCZHWZMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c1-13-9-4-6(8(12)5-11)2-3-7(9)10/h2-4H,5H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-fluoroethanone?
1-(4-chloro-3-methoxyphenyl)-2-fluoroethanone has a molecular weight of 202.61 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-2-fluoroethanone is sourced from PubChem (CID 19436766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).