4-chloro-1-fluoro-2-(1-nitrosopropyl)benzene

C9H9ClFNO — CID 129170550

IUPAC4-chloro-1-fluoro-2-(1-nitrosopropyl)benzene
SMILESCCC(N=O)c1cc(Cl)ccc1F
InChIInChI=1S/C9H9ClFNO/c1-2-9(12-13)7-5-6(10)3-4-8(7)11/h3-5,9H,2H2,1H3
InChIKeyFQTMZACNQLWQIF-UHFFFAOYSA-N
MW201.63 g/mol
LogP3.70
Rot. Bonds3

About 4-chloro-1-fluoro-2-(1-nitrosopropyl)benzene

4-chloro-1-fluoro-2-(1-nitrosopropyl)benzene (PubChem CID 129170550) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 4-chloro-1-fluoro-2-(1-nitrosopropyl)benzene.

Molecular Properties

Compound Name4-chloro-1-fluoro-2-(1-nitrosopropyl)benzene
PubChem CID129170550
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name4-chloro-1-fluoro-2-(1-nitrosopropyl)benzene
SMILESCCC(N=O)c1cc(Cl)ccc1F
InChIInChI=1S/C9H9ClFNO/c1-2-9(12-13)7-5-6(10)3-4-8(7)11/h3-5,9H,2H2,1H3
InChIKeyFQTMZACNQLWQIF-UHFFFAOYSA-N
XLogP3.70
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-fluorophenyl)-N-ethylpropan-1-amine
CID 114886330
2-(butan-2-ylamino)-2-(5-chloro-2-fluorophenyl)acetonitrile
CID 114843576
3-(5-chloro-2-fluorophenyl)butanal
CID 117289601
1-butan-2-yl-4-chloro-2-fluorobenzene
CID 54159004
methyl 2-[(5-chloro-2-fluorophenyl)-hydroxymethyl]butanoate
CID 114859945
1-(5-chloro-2-fluorophenyl)-3-methyl-N-propylpentan-1-amine
CID 114886503
(1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine
CID 171202085
(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine
CID 58878078
2-(butan-2-ylamino)-2-(4-chloro-2-fluorophenyl)acetic acid
CID 114843756
N-butan-2-yl-1-(5-chloro-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 114842864
N-[(5-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]ethanamine
CID 43490182
1-(5-chloro-2-fluorophenyl)-2-methylsulfanylethanamine
CID 116830315

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-fluoro-2-(1-nitrosopropyl)benzene?
The IUPAC name of 4-chloro-1-fluoro-2-(1-nitrosopropyl)benzene (CID 129170550) is 4-chloro-1-fluoro-2-(1-nitrosopropyl)benzene.
What is the SMILES notation for 4-chloro-1-fluoro-2-(1-nitrosopropyl)benzene?
The canonical SMILES for 4-chloro-1-fluoro-2-(1-nitrosopropyl)benzene is CCC(N=O)c1cc(Cl)ccc1F.
What is the InChIKey of 4-chloro-1-fluoro-2-(1-nitrosopropyl)benzene?
The InChIKey is FQTMZACNQLWQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c1-2-9(12-13)7-5-6(10)3-4-8(7)11/h3-5,9H,2H2,1H3.
What are the key properties of 4-chloro-1-fluoro-2-(1-nitrosopropyl)benzene?
4-chloro-1-fluoro-2-(1-nitrosopropyl)benzene has a molecular weight of 201.63 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-fluoro-2-(1-nitrosopropyl)benzene is sourced from PubChem (CID 129170550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).