N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]formamide

C10H10F3NO — CID 64992370

IUPACN-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]formamide
SMILESCN(C=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO/c1-14(7-15)6-8-2-4-9(5-3-8)10(11,12)13/h2-5,7H,6H2,1H3
InChIKeyKDHPMZDECKSZMQ-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.29
Rot. Bonds3

About N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]formamide

N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]formamide (PubChem CID 64992370) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]formamide.

Molecular Properties

Compound NameN-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]formamide
PubChem CID64992370
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC NameN-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]formamide
SMILESCN(C=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO/c1-14(7-15)6-8-2-4-9(5-3-8)10(11,12)13/h2-5,7H,6H2,1H3
InChIKeyKDHPMZDECKSZMQ-UHFFFAOYSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]formamide?
The IUPAC name of N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]formamide (CID 64992370) is N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]formamide.
What is the SMILES notation for N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]formamide?
The canonical SMILES for N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]formamide is CN(C=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]formamide?
The InChIKey is KDHPMZDECKSZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-14(7-15)6-8-2-4-9(5-3-8)10(11,12)13/h2-5,7H,6H2,1H3.
What are the key properties of N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]formamide?
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]formamide has a molecular weight of 217.19 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]formamide is sourced from PubChem (CID 64992370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).