(2S)-2-(3,4-dichlorophenoxy)-2-fluoro-1-phenylethanone

C14H9Cl2FO2 — CID 87812980

IUPAC(2S)-2-(3,4-dichlorophenoxy)-2-fluoro-1-phenylethanone
SMILESO=C(c1ccccc1)[C@H](F)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2FO2/c15-11-7-6-10(8-12(11)16)19-14(17)13(18)9-4-2-1-3-5-9/h1-8,14H/t14-/m1/s1
InChIKeyGLYWMIPNZMJCTG-CQSZACIVSA-N
MW299.13 g/mol
LogP4.55
Rot. Bonds4

About (2S)-2-(3,4-dichlorophenoxy)-2-fluoro-1-phenylethanone

(2S)-2-(3,4-dichlorophenoxy)-2-fluoro-1-phenylethanone (PubChem CID 87812980) has the molecular formula C14H9Cl2FO2 and a molecular weight of 299.13 g/mol. Its IUPAC name is (2S)-2-(3,4-dichlorophenoxy)-2-fluoro-1-phenylethanone.

Molecular Properties

Compound Name(2S)-2-(3,4-dichlorophenoxy)-2-fluoro-1-phenylethanone
PubChem CID87812980
Molecular FormulaC14H9Cl2FO2
Molecular Weight299.13 g/mol
Exact Mass298.00
IUPAC Name(2S)-2-(3,4-dichlorophenoxy)-2-fluoro-1-phenylethanone
SMILESO=C(c1ccccc1)[C@H](F)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl2FO2/c15-11-7-6-10(8-12(11)16)19-14(17)13(18)9-4-2-1-3-5-9/h1-8,14H/t14-/m1/s1
InChIKeyGLYWMIPNZMJCTG-CQSZACIVSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(3,4-dichlorophenoxy)-1-phenylpentane-1,3-dione
CID 23625448
(2R)-2-chloro-2-fluoro-1-phenylethanone
CID 93494146
3,4-dichloro-N-[4-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 1218534
2-(3,4-dichlorophenoxy)propanoic acid;ethane
CID 142915874
2,2-bis(4-chlorophenoxy)-1-phenylethanone
CID 54253239
2-(4-chlorophenoxy)-1-(2,4-dichlorophenyl)-2-fluoroethanone
CID 86098425
2-(2-chlorophenoxy)-2-fluoroacetic acid
CID 79356644
(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
CID 94165642
(2S)-N-cyclopropyl-2-(3,4-dichlorophenoxy)-2-phenylacetamide
CID 9417632
5-(3,4-dichlorophenoxy)naphthalene-2-carboxylic acid
CID 155213927
2-(3,4-dichlorophenoxy)-3-fluorobenzoic acid
CID 55101715
1-phenyl-2-(2,4,5-trichlorophenoxy)butan-1-one
CID 63567597

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,4-dichlorophenoxy)-2-fluoro-1-phenylethanone?
The IUPAC name of (2S)-2-(3,4-dichlorophenoxy)-2-fluoro-1-phenylethanone (CID 87812980) is (2S)-2-(3,4-dichlorophenoxy)-2-fluoro-1-phenylethanone.
What is the SMILES notation for (2S)-2-(3,4-dichlorophenoxy)-2-fluoro-1-phenylethanone?
The canonical SMILES for (2S)-2-(3,4-dichlorophenoxy)-2-fluoro-1-phenylethanone is O=C(c1ccccc1)[C@H](F)Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2S)-2-(3,4-dichlorophenoxy)-2-fluoro-1-phenylethanone?
The InChIKey is GLYWMIPNZMJCTG-CQSZACIVSA-N. The full InChI is InChI=1S/C14H9Cl2FO2/c15-11-7-6-10(8-12(11)16)19-14(17)13(18)9-4-2-1-3-5-9/h1-8,14H/t14-/m1/s1.
What are the key properties of (2S)-2-(3,4-dichlorophenoxy)-2-fluoro-1-phenylethanone?
(2S)-2-(3,4-dichlorophenoxy)-2-fluoro-1-phenylethanone has a molecular weight of 299.13 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,4-dichlorophenoxy)-2-fluoro-1-phenylethanone is sourced from PubChem (CID 87812980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).