N-propan-2-yl-N-(2,2,2-trifluoroethyl)formamide

C6H10F3NO — CID 64992200

IUPACN-propan-2-yl-N-(2,2,2-trifluoroethyl)formamide
SMILESCC(C)N(C=O)CC(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-5(2)10(4-11)3-6(7,8)9/h4-5H,3H2,1-2H3
InChIKeyOUINHKJRGYLQBY-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.42
Rot. Bonds3

About N-propan-2-yl-N-(2,2,2-trifluoroethyl)formamide

N-propan-2-yl-N-(2,2,2-trifluoroethyl)formamide (PubChem CID 64992200) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is N-propan-2-yl-N-(2,2,2-trifluoroethyl)formamide.

Molecular Properties

Compound NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)formamide
PubChem CID64992200
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC NameN-propan-2-yl-N-(2,2,2-trifluoroethyl)formamide
SMILESCC(C)N(C=O)CC(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-5(2)10(4-11)3-6(7,8)9/h4-5H,3H2,1-2H3
InChIKeyOUINHKJRGYLQBY-UHFFFAOYSA-N
XLogP1.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.42
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,N-bis(1-methylethyl)formamide
CID 75912
N,N-di(propan-2-yl)carbamoyl fluoride
CID 135080715
N-ethyl-N-propan-2-ylformamide
CID 19828862
N-(fluoromethyl)-N-propan-2-ylcarbamoyl fluoride
CID 54081738
N-ethyl-N-(2,2,2-trifluoroethyl)formamide
CID 54553159
N-(difluoromethyl)-N-propan-2-ylformamide
CID 56620564
N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 60770830
N-isopropyl-N-methyltrifluoroacetamide
CID 64592054
N-cyclopropyl-N-(2,2,2-trifluoroethyl)formamide
CID 64992143
N-methyl-N-(3,3,3-trifluoropropyl)formamide
CID 65545886
N-propyl-N-(trifluoromethyl)formamide
CID 87321400
N-butan-2-yl-N-(trifluoromethyl)formamide
CID 87321578

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)formamide?
The IUPAC name of N-propan-2-yl-N-(2,2,2-trifluoroethyl)formamide (CID 64992200) is N-propan-2-yl-N-(2,2,2-trifluoroethyl)formamide.
What is the SMILES notation for N-propan-2-yl-N-(2,2,2-trifluoroethyl)formamide?
The canonical SMILES for N-propan-2-yl-N-(2,2,2-trifluoroethyl)formamide is CC(C)N(C=O)CC(F)(F)F.
What is the InChIKey of N-propan-2-yl-N-(2,2,2-trifluoroethyl)formamide?
The InChIKey is OUINHKJRGYLQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-5(2)10(4-11)3-6(7,8)9/h4-5H,3H2,1-2H3.
What are the key properties of N-propan-2-yl-N-(2,2,2-trifluoroethyl)formamide?
N-propan-2-yl-N-(2,2,2-trifluoroethyl)formamide has a molecular weight of 169.15 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(2,2,2-trifluoroethyl)formamide is sourced from PubChem (CID 64992200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).