1-(2-methyl-1-nitrosopropyl)-3-(trifluoromethyl)benzene

C11H12F3NO — CID 123680621

IUPAC1-(2-methyl-1-nitrosopropyl)-3-(trifluoromethyl)benzene
SMILESCC(C)C(N=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO/c1-7(2)10(15-16)8-4-3-5-9(6-8)11(12,13)14/h3-7,10H,1-2H3
InChIKeyFOEUOXFAWTUGBD-UHFFFAOYSA-N
MW231.22 g/mol
LogP4.17
Rot. Bonds3

About 1-(2-methyl-1-nitrosopropyl)-3-(trifluoromethyl)benzene

1-(2-methyl-1-nitrosopropyl)-3-(trifluoromethyl)benzene (PubChem CID 123680621) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 1-(2-methyl-1-nitrosopropyl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2-methyl-1-nitrosopropyl)-3-(trifluoromethyl)benzene
PubChem CID123680621
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name1-(2-methyl-1-nitrosopropyl)-3-(trifluoromethyl)benzene
SMILESCC(C)C(N=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO/c1-7(2)10(15-16)8-4-3-5-9(6-8)11(12,13)14/h3-7,10H,1-2H3
InChIKeyFOEUOXFAWTUGBD-UHFFFAOYSA-N
XLogP4.17
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine
CID 79298392
2-methoxy-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 116712081
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 10899748
1-(1-chloropropan-2-yl)-3-(trifluoromethyl)benzene
CID 12697049
trichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 22373348
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
4-hydroxy-2,3-dimethyl-4-[3-(trifluoromethyl)phenyl]butanoic acid
CID 79414458
3,4-dihydroxy-4-[3-(trifluoromethyl)phenyl]butan-2-one
CID 71379717
(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-nitrosopropyl)-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(2-methyl-1-nitrosopropyl)-3-(trifluoromethyl)benzene (CID 123680621) is 1-(2-methyl-1-nitrosopropyl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2-methyl-1-nitrosopropyl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2-methyl-1-nitrosopropyl)-3-(trifluoromethyl)benzene is CC(C)C(N=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(2-methyl-1-nitrosopropyl)-3-(trifluoromethyl)benzene?
The InChIKey is FOEUOXFAWTUGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-7(2)10(15-16)8-4-3-5-9(6-8)11(12,13)14/h3-7,10H,1-2H3.
What are the key properties of 1-(2-methyl-1-nitrosopropyl)-3-(trifluoromethyl)benzene?
1-(2-methyl-1-nitrosopropyl)-3-(trifluoromethyl)benzene has a molecular weight of 231.22 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-nitrosopropyl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 123680621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).