N-methyl-N-[3-(trifluoromethyl)phenyl]formamide

C9H8F3NO — CID 162541615

IUPACN-methyl-N-[3-(trifluoromethyl)phenyl]formamide
SMILESCN(C=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H8F3NO/c1-13(6-14)8-4-2-3-7(5-8)9(10,11)12/h2-6H,1H3
InChIKeyHZHFCNYVHXJJJT-UHFFFAOYSA-N
MW203.16 g/mol
LogP2.30
Rot. Bonds2

About N-methyl-N-[3-(trifluoromethyl)phenyl]formamide

N-methyl-N-[3-(trifluoromethyl)phenyl]formamide (PubChem CID 162541615) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is N-methyl-N-[3-(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-methyl-N-[3-(trifluoromethyl)phenyl]formamide
PubChem CID162541615
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC NameN-methyl-N-[3-(trifluoromethyl)phenyl]formamide
SMILESCN(C=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H8F3NO/c1-13(6-14)8-4-2-3-7(5-8)9(10,11)12/h2-6H,1H3
InChIKeyHZHFCNYVHXJJJT-UHFFFAOYSA-N
XLogP2.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[3-[formyl(methyl)amino]phenyl]-N-methylformamide
CID 134105298
N-methyl-N-[3-(trifluoromethyl)phenyl]nitramide
CID 139644460
N-ethyl-N-methyl-3-(trifluoromethyl)aniline;propane
CID 144923276
1-methyl-1-[3-(trifluoromethyl)phenyl]thiourea
CID 131849076
2-[N-methyl-3-(trifluoromethyl)anilino]ethanol
CID 117029243
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 91610944
1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis[3-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 142084157
N-tert-butyl-N-propan-2-yl-3-(trifluoromethyl)aniline
CID 59479747
N-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]formamide
CID 174048843
N,N-dimethyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]aniline
CID 118830034
N-[5-fluoro-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]phenyl]-N-methylformamide
CID 175178417
N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 21176284

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-methyl-N-[3-(trifluoromethyl)phenyl]formamide (CID 162541615) is N-methyl-N-[3-(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-methyl-N-[3-(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-methyl-N-[3-(trifluoromethyl)phenyl]formamide is CN(C=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-N-[3-(trifluoromethyl)phenyl]formamide?
The InChIKey is HZHFCNYVHXJJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c1-13(6-14)8-4-2-3-7(5-8)9(10,11)12/h2-6H,1H3.
What are the key properties of N-methyl-N-[3-(trifluoromethyl)phenyl]formamide?
N-methyl-N-[3-(trifluoromethyl)phenyl]formamide has a molecular weight of 203.16 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(trifluoromethyl)phenyl]formamide is sourced from PubChem (CID 162541615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).