(4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone

C16H13ClF2O2 — CID 82772715

IUPAC(4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)c2cc(F)c(Cl)cc2F)cc1
InChIInChI=1S/C16H13ClF2O2/c1-9(2)21-11-5-3-10(4-6-11)16(20)12-7-15(19)13(17)8-14(12)18/h3-9H,1-2H3
InChIKeyNINJTNHKBNKPLQ-UHFFFAOYSA-N
MW310.73 g/mol
LogP4.64
Rot. Bonds4

About (4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone

(4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone (PubChem CID 82772715) has the molecular formula C16H13ClF2O2 and a molecular weight of 310.73 g/mol. Its IUPAC name is (4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
PubChem CID82772715
Molecular FormulaC16H13ClF2O2
Molecular Weight310.73 g/mol
Exact Mass310.06
IUPAC Name(4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)c2cc(F)c(Cl)cc2F)cc1
InChIInChI=1S/C16H13ClF2O2/c1-9(2)21-11-5-3-10(4-6-11)16(20)12-7-15(19)13(17)8-14(12)18/h3-9H,1-2H3
InChIKeyNINJTNHKBNKPLQ-UHFFFAOYSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone 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

(2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 63661997
(5-bromo-2-fluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339553
(4-butan-2-ylphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 82772598
(4-propan-2-yloxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79757463
(5-chloro-2-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43339575
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanone
CID 105398308
(4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 82783216
(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693772
(4-amino-3-methylphenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 82773780
(3-fluoro-4-methoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 62919038
(2-chloro-4,5-difluorophenyl)-(4-chlorophenyl)methanone
CID 107475645
(3-bromo-5-chlorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 107944446

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone?
The IUPAC name of (4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone (CID 82772715) is (4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccc(C(=O)c2cc(F)c(Cl)cc2F)cc1.
What is the InChIKey of (4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is NINJTNHKBNKPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2O2/c1-9(2)21-11-5-3-10(4-6-11)16(20)12-7-15(19)13(17)8-14(12)18/h3-9H,1-2H3.
What are the key properties of (4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone?
(4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 310.73 g/mol, XLogP of 4.64, 4 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)-(4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 82772715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).