1-(4-chloronaphthalen-1-yl)-2,2-difluoroethanone

C12H7ClF2O — CID 103513654

IUPAC1-(4-chloronaphthalen-1-yl)-2,2-difluoroethanone
SMILESO=C(c1ccc(Cl)c2ccccc12)C(F)F
InChIInChI=1S/C12H7ClF2O/c13-10-6-5-9(11(16)12(14)15)7-3-1-2-4-8(7)10/h1-6,12H
InChIKeyZGRZUQKQWDONCM-UHFFFAOYSA-N
MW240.64 g/mol
LogP3.94
Rot. Bonds2

About 1-(4-chloronaphthalen-1-yl)-2,2-difluoroethanone

1-(4-chloronaphthalen-1-yl)-2,2-difluoroethanone (PubChem CID 103513654) has the molecular formula C12H7ClF2O and a molecular weight of 240.64 g/mol. Its IUPAC name is 1-(4-chloronaphthalen-1-yl)-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(4-chloronaphthalen-1-yl)-2,2-difluoroethanone
PubChem CID103513654
Molecular FormulaC12H7ClF2O
Molecular Weight240.64 g/mol
Exact Mass240.02
IUPAC Name1-(4-chloronaphthalen-1-yl)-2,2-difluoroethanone
SMILESO=C(c1ccc(Cl)c2ccccc12)C(F)F
InChIInChI=1S/C12H7ClF2O/c13-10-6-5-9(11(16)12(14)15)7-3-1-2-4-8(7)10/h1-6,12H
InChIKeyZGRZUQKQWDONCM-UHFFFAOYSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.64
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloronaphthalene-1-carbonyl) 4-chloronaphthalene-1-carboxylate
CID 57061694
(2-chloro-4-fluorophenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591394
1-(4-chloronaphthalen-1-yl)-2,2-dimethylpropan-1-one
CID 79601820
(4-chloronaphthalen-1-yl)-(5-fluoro-2-methylphenyl)methanone
CID 79591384
methyl 2-(4-chloronaphthalen-1-yl)-2-oxoacetate
CID 112616492
(4-chloronaphthalen-1-yl)-(furan-2-yl)methanone
CID 79601314
(5-chloronaphthalene-1-carbonyl) 5-chloronaphthalene-1-carboxylate
CID 87755964
2,2-difluoro-1-(2-hydrazinylphenyl)ethanone
CID 19789196
1-(4-chloronaphthalen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206734
(4-chloronaphthalen-1-yl)-(2,4-dimethylphenyl)methanone
CID 79591122
4-(4-chloronaphthalen-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 79597299
methyl 3-(2-chlorophenyl)-2-fluoro-3-oxopropanoate
CID 105488730

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloronaphthalen-1-yl)-2,2-difluoroethanone?
The IUPAC name of 1-(4-chloronaphthalen-1-yl)-2,2-difluoroethanone (CID 103513654) is 1-(4-chloronaphthalen-1-yl)-2,2-difluoroethanone.
What is the SMILES notation for 1-(4-chloronaphthalen-1-yl)-2,2-difluoroethanone?
The canonical SMILES for 1-(4-chloronaphthalen-1-yl)-2,2-difluoroethanone is O=C(c1ccc(Cl)c2ccccc12)C(F)F.
What is the InChIKey of 1-(4-chloronaphthalen-1-yl)-2,2-difluoroethanone?
The InChIKey is ZGRZUQKQWDONCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2O/c13-10-6-5-9(11(16)12(14)15)7-3-1-2-4-8(7)10/h1-6,12H.
What are the key properties of 1-(4-chloronaphthalen-1-yl)-2,2-difluoroethanone?
1-(4-chloronaphthalen-1-yl)-2,2-difluoroethanone has a molecular weight of 240.64 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloronaphthalen-1-yl)-2,2-difluoroethanone is sourced from PubChem (CID 103513654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).