1-chloro-2-fluorobenzene;propan-2-one

C9H10ClFO — CID 174355607

IUPAC1-chloro-2-fluorobenzene;propan-2-one
SMILESCC(C)=O.Fc1ccccc1Cl
InChIInChI=1S/C6H4ClF.C3H6O/c7-5-3-1-2-4-6(5)8;1-3(2)4/h1-4H;1-2H3
InChIKeyRAYDRTGSGQAZMK-UHFFFAOYSA-N
MW188.63 g/mol
LogP3.07
Rot. Bonds

About 1-chloro-2-fluorobenzene;propan-2-one

1-chloro-2-fluorobenzene;propan-2-one (PubChem CID 174355607) has the molecular formula C9H10ClFO and a molecular weight of 188.63 g/mol. Its IUPAC name is 1-chloro-2-fluorobenzene;propan-2-one.

Molecular Properties

Compound Name1-chloro-2-fluorobenzene;propan-2-one
PubChem CID174355607
Molecular FormulaC9H10ClFO
Molecular Weight188.63 g/mol
Exact Mass188.04
IUPAC Name1-chloro-2-fluorobenzene;propan-2-one
SMILESCC(C)=O.Fc1ccccc1Cl
InChIInChI=1S/C6H4ClF.C3H6O/c7-5-3-1-2-4-6(5)8;1-3(2)4/h1-4H;1-2H3
InChIKeyRAYDRTGSGQAZMK-UHFFFAOYSA-N
XLogP3.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.63
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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3,3-bis[(2-chloro-6-fluorophenyl)methyl]pentane-2,4-dione
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N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
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1-(2-chlorophenyl)-1-fluoropropan-2-one
CID 105442385
1-[1-(2-chloro-6-fluorophenyl)cyclopentyl]ethanone
CID 82292861
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
N-[4-[(2-chloro-6-fluorophenyl)carbamoylamino]phenyl]acetamide
CID 108896360
(Z)-3-(2-chlorophenyl)-2-fluorobut-2-enoic acid
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2-(2,6-dichlorophenyl)-1-(2-fluorophenyl)ethanone
CID 62500601

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluorobenzene;propan-2-one?
The IUPAC name of 1-chloro-2-fluorobenzene;propan-2-one (CID 174355607) is 1-chloro-2-fluorobenzene;propan-2-one.
What is the SMILES notation for 1-chloro-2-fluorobenzene;propan-2-one?
The canonical SMILES for 1-chloro-2-fluorobenzene;propan-2-one is CC(C)=O.Fc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-fluorobenzene;propan-2-one?
The InChIKey is RAYDRTGSGQAZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF.C3H6O/c7-5-3-1-2-4-6(5)8;1-3(2)4/h1-4H;1-2H3.
What are the key properties of 1-chloro-2-fluorobenzene;propan-2-one?
1-chloro-2-fluorobenzene;propan-2-one has a molecular weight of 188.63 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluorobenzene;propan-2-one is sourced from PubChem (CID 174355607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).