N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)formamide

C7H12F3NO — CID 64992150

IUPACN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)formamide
SMILESCC(C)CN(C=O)CC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-6(2)3-11(5-12)4-7(8,9)10/h5-6H,3-4H2,1-2H3
InChIKeyLKPFKVSXLJRCHZ-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.66
Rot. Bonds4

About N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)formamide

N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)formamide (PubChem CID 64992150) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)formamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)formamide
PubChem CID64992150
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC NameN-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)formamide
SMILESCC(C)CN(C=O)CC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-6(2)3-11(5-12)4-7(8,9)10/h5-6H,3-4H2,1-2H3
InChIKeyLKPFKVSXLJRCHZ-UHFFFAOYSA-N
XLogP1.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.66
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-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)formamide?
The IUPAC name of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)formamide (CID 64992150) is N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)formamide.
What is the SMILES notation for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)formamide?
The canonical SMILES for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)formamide is CC(C)CN(C=O)CC(F)(F)F.
What is the InChIKey of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)formamide?
The InChIKey is LKPFKVSXLJRCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-6(2)3-11(5-12)4-7(8,9)10/h5-6H,3-4H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)formamide?
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)formamide has a molecular weight of 183.17 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)formamide is sourced from PubChem (CID 64992150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).