1-(2-chloro-4,5-difluorophenyl)nonan-1-one

C15H19ClF2O — CID 107475835

IUPAC1-(2-chloro-4,5-difluorophenyl)nonan-1-one
SMILESCCCCCCCCC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H19ClF2O/c1-2-3-4-5-6-7-8-15(19)11-9-13(17)14(18)10-12(11)16/h9-10H,2-8H2,1H3
InChIKeyKHURBVMWIASEHZ-UHFFFAOYSA-N
MW288.76 g/mol
LogP5.55
Rot. Bonds8

About 1-(2-chloro-4,5-difluorophenyl)nonan-1-one

1-(2-chloro-4,5-difluorophenyl)nonan-1-one (PubChem CID 107475835) has the molecular formula C15H19ClF2O and a molecular weight of 288.76 g/mol. Its IUPAC name is 1-(2-chloro-4,5-difluorophenyl)nonan-1-one.

Molecular Properties

Compound Name1-(2-chloro-4,5-difluorophenyl)nonan-1-one
PubChem CID107475835
Molecular FormulaC15H19ClF2O
Molecular Weight288.76 g/mol
Exact Mass288.11
IUPAC Name1-(2-chloro-4,5-difluorophenyl)nonan-1-one
SMILESCCCCCCCCC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C15H19ClF2O/c1-2-3-4-5-6-7-8-15(19)11-9-13(17)14(18)10-12(11)16/h9-10H,2-8H2,1H3
InChIKeyKHURBVMWIASEHZ-UHFFFAOYSA-N
XLogP5.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.76
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4,5-difluorophenyl)pentan-1-one
CID 15001812
1-(4-chloro-2,5-difluorophenyl)undecan-1-one
CID 114968948
1-(2-chloro-4-fluoro-5-methylphenyl)hexan-1-one
CID 81044873
1-(2,4,5-trifluorophenyl)decan-1-one
CID 103301401
1-(2-chloro-5-fluorophenyl)octan-1-one
CID 105396697
1-(2-chloro-4,5-dimethylphenyl)nonan-1-one
CID 115483569
1-(5-chloro-2-fluorophenyl)octan-1-one
CID 114885192
1-(2,4-dichlorophenyl)hexan-1-one
CID 57230005
1-(4-bromo-2-chlorophenyl)undecan-1-one
CID 114968877
1-(4-amino-2-chlorophenyl)dodecan-1-one
CID 65426442
1-(2-chloro-4,5-dimethylphenyl)pentan-1-one
CID 83957886
1-(2-chlorophenyl)dodecan-1-one
CID 114963350

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-difluorophenyl)nonan-1-one?
The IUPAC name of 1-(2-chloro-4,5-difluorophenyl)nonan-1-one (CID 107475835) is 1-(2-chloro-4,5-difluorophenyl)nonan-1-one.
What is the SMILES notation for 1-(2-chloro-4,5-difluorophenyl)nonan-1-one?
The canonical SMILES for 1-(2-chloro-4,5-difluorophenyl)nonan-1-one is CCCCCCCCC(=O)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,5-difluorophenyl)nonan-1-one?
The InChIKey is KHURBVMWIASEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF2O/c1-2-3-4-5-6-7-8-15(19)11-9-13(17)14(18)10-12(11)16/h9-10H,2-8H2,1H3.
What are the key properties of 1-(2-chloro-4,5-difluorophenyl)nonan-1-one?
1-(2-chloro-4,5-difluorophenyl)nonan-1-one has a molecular weight of 288.76 g/mol, XLogP of 5.55, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-difluorophenyl)nonan-1-one is sourced from PubChem (CID 107475835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).