1-(2-chloro-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one

C12H10ClF5O2 — CID 103473693

IUPAC1-(2-chloro-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
SMILESO=C(COCC(F)(F)C(F)F)Cc1cc(F)ccc1Cl
InChIInChI=1S/C12H10ClF5O2/c13-10-2-1-8(14)3-7(10)4-9(19)5-20-6-12(17,18)11(15)16/h1-3,11H,4-6H2
InChIKeyVMJCCHZQZDQSHF-UHFFFAOYSA-N
MW316.65 g/mol
LogP3.51
Rot. Bonds7

About 1-(2-chloro-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one

1-(2-chloro-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one (PubChem CID 103473693) has the molecular formula C12H10ClF5O2 and a molecular weight of 316.65 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
PubChem CID103473693
Molecular FormulaC12H10ClF5O2
Molecular Weight316.65 g/mol
Exact Mass316.03
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
SMILESO=C(COCC(F)(F)C(F)F)Cc1cc(F)ccc1Cl
InChIInChI=1S/C12H10ClF5O2/c13-10-2-1-8(14)3-7(10)4-9(19)5-20-6-12(17,18)11(15)16/h1-3,11H,4-6H2
InChIKeyVMJCCHZQZDQSHF-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.65
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-chloro-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-5-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-one
CID 103214455
1-(4-chloro-3-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 107884171
1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473738
1-(2-chloro-5-fluorophenyl)-3-propoxypropan-2-one
CID 102617636
1-(2-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one
CID 103473795
1-(2-chloro-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473957
1-(2-chloro-5-fluorophenyl)-5-hydroxypentan-2-one
CID 106677671
1-(2-chloro-5-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214452
N-[(2-chloro-5-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106291281
N-(5-amino-2-chlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 43376874
2-[(2-chloro-5-fluorophenyl)methoxy]acetic acid
CID 102615107
1-(2,2,3,3-tetrafluoropropoxy)-3-(1,3-thiazol-2-yl)propan-2-one
CID 103473723

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one (CID 103473693) is 1-(2-chloro-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one is O=C(COCC(F)(F)C(F)F)Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one?
The InChIKey is VMJCCHZQZDQSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF5O2/c13-10-2-1-8(14)3-7(10)4-9(19)5-20-6-12(17,18)11(15)16/h1-3,11H,4-6H2.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one?
1-(2-chloro-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one has a molecular weight of 316.65 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-one is sourced from PubChem (CID 103473693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).