N-[3-methyl-5-(trifluoromethyl)phenyl]formamide

C9H8F3NO — CID 58761830

IUPACN-[3-methyl-5-(trifluoromethyl)phenyl]formamide
SMILESCc1cc(NC=O)cc(C(F)(F)F)c1
InChIInChI=1S/C9H8F3NO/c1-6-2-7(9(10,11)12)4-8(3-6)13-5-14/h2-5H,1H3,(H,13,14)
InChIKeyWGRXFMFANZJSFY-UHFFFAOYSA-N
MW203.16 g/mol
LogP2.58
Rot. Bonds2

About N-[3-methyl-5-(trifluoromethyl)phenyl]formamide

N-[3-methyl-5-(trifluoromethyl)phenyl]formamide (PubChem CID 58761830) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is N-[3-methyl-5-(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[3-methyl-5-(trifluoromethyl)phenyl]formamide
PubChem CID58761830
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC NameN-[3-methyl-5-(trifluoromethyl)phenyl]formamide
SMILESCc1cc(NC=O)cc(C(F)(F)F)c1
InChIInChI=1S/C9H8F3NO/c1-6-2-7(9(10,11)12)4-8(3-6)13-5-14/h2-5H,1H3,(H,13,14)
InChIKeyWGRXFMFANZJSFY-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]formamide
CID 11322837
N-tert-butyl-3-methyl-5-(trifluoromethyl)aniline
CID 118333519
N-[(1Z,3Z,5E)-2,3-dimethylhepta-1,3,5-trienyl]-3-methyl-5-(trifluoromethyl)aniline
CID 143881938
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
N-[3-(cyclopropylmethoxy)-5-(trifluoromethyl)phenyl]formamide
CID 168651808
N-(3,5-diformamidophenyl)formamide
CID 87263269
N-[3-methyl-4-(trifluoromethyl)phenyl]formamide
CID 142387877
N-[3,5-bis(methylamino)phenyl]formamide
CID 158907123
N-ethenyl-3,5-bis(trifluoromethyl)aniline
CID 163887176
4-[3-methyl-5-(trifluoromethyl)phenyl]but-3-enal
CID 170482331
1-[difluoro(iodo)methyl]-3-methyl-5-(trifluoromethyl)benzene
CID 131977806
1-methyl-3,5-bis(trifluoromethyl)benzene;propane;prop-1-ene
CID 145201590

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-[3-methyl-5-(trifluoromethyl)phenyl]formamide (CID 58761830) is N-[3-methyl-5-(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-[3-methyl-5-(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-[3-methyl-5-(trifluoromethyl)phenyl]formamide is Cc1cc(NC=O)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-methyl-5-(trifluoromethyl)phenyl]formamide?
The InChIKey is WGRXFMFANZJSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c1-6-2-7(9(10,11)12)4-8(3-6)13-5-14/h2-5H,1H3,(H,13,14).
What are the key properties of N-[3-methyl-5-(trifluoromethyl)phenyl]formamide?
N-[3-methyl-5-(trifluoromethyl)phenyl]formamide has a molecular weight of 203.16 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-(trifluoromethyl)phenyl]formamide is sourced from PubChem (CID 58761830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).