1-[(E)-2-nitrosoprop-1-enyl]-4-(trifluoromethyl)benzene

C10H8F3NO — CID 166931724

IUPAC1-[(E)-2-nitrosoprop-1-enyl]-4-(trifluoromethyl)benzene
SMILESC/C(=C\c1ccc(C(F)(F)F)cc1)N=O
InChIInChI=1S/C10H8F3NO/c1-7(14-15)6-8-2-4-9(5-3-8)10(11,12)13/h2-6H,1H3/b7-6+
InChIKeyQGLUBECOUQRVIL-VOTSOKGWSA-N
MW215.17 g/mol
LogP3.83
Rot. Bonds2

About 1-[(E)-2-nitrosoprop-1-enyl]-4-(trifluoromethyl)benzene

1-[(E)-2-nitrosoprop-1-enyl]-4-(trifluoromethyl)benzene (PubChem CID 166931724) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 1-[(E)-2-nitrosoprop-1-enyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(E)-2-nitrosoprop-1-enyl]-4-(trifluoromethyl)benzene
PubChem CID166931724
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name1-[(E)-2-nitrosoprop-1-enyl]-4-(trifluoromethyl)benzene
SMILESC/C(=C\c1ccc(C(F)(F)F)cc1)N=O
InChIInChI=1S/C10H8F3NO/c1-7(14-15)6-8-2-4-9(5-3-8)10(11,12)13/h2-6H,1H3/b7-6+
InChIKeyQGLUBECOUQRVIL-VOTSOKGWSA-N
XLogP3.83
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-4-[4-[(Z)-3-oxo-2-[4-(trifluoromethyl)phenyl]but-1-enyl]phenyl]-3-[4-(trifluoromethyl)phenyl]but-3-en-2-one
CID 90047932
1-[(1E)-2-methylhexa-1,5-dienyl]-4-(trifluoromethyl)benzene
CID 44604603
N-tert-butyl-2-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 79341054
(E)-2-(4-methylphenyl)sulfonyl-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 2714229
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
(E)-N-ethylsulfanyl-2-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 153347012
trimethyl-[(1E,5E)-1-[4-(trifluoromethyl)phenyl]-5-trimethylsilylhepta-1,5-dien-3-yn-2-yl]silane
CID 53310772
(E)-2-(methylamino)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 138624935
(Z)-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 43244487
1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene
CID 145089374
3-methyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 173277317
1,3-bis(4-methoxyphenyl)-2-[[4-(trifluoromethyl)phenyl]methylidene]propane-1,3-dione
CID 46242474

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-nitrosoprop-1-enyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(E)-2-nitrosoprop-1-enyl]-4-(trifluoromethyl)benzene (CID 166931724) is 1-[(E)-2-nitrosoprop-1-enyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(E)-2-nitrosoprop-1-enyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(E)-2-nitrosoprop-1-enyl]-4-(trifluoromethyl)benzene is C/C(=C\c1ccc(C(F)(F)F)cc1)N=O.
What is the InChIKey of 1-[(E)-2-nitrosoprop-1-enyl]-4-(trifluoromethyl)benzene?
The InChIKey is QGLUBECOUQRVIL-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H8F3NO/c1-7(14-15)6-8-2-4-9(5-3-8)10(11,12)13/h2-6H,1H3/b7-6+.
What are the key properties of 1-[(E)-2-nitrosoprop-1-enyl]-4-(trifluoromethyl)benzene?
1-[(E)-2-nitrosoprop-1-enyl]-4-(trifluoromethyl)benzene has a molecular weight of 215.17 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-nitrosoprop-1-enyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 166931724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).