N-ethyl-N-(1,1,1-trifluorobutan-2-yl)formamide

C7H12F3NO — CID 145203970

IUPACN-ethyl-N-(1,1,1-trifluorobutan-2-yl)formamide
SMILESCCC(N(C=O)CC)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-3-6(7(8,9)10)11(4-2)5-12/h5-6H,3-4H2,1-2H3
InChIKeyZELUEYCHQRKJKK-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.81
Rot. Bonds4

About N-ethyl-N-(1,1,1-trifluorobutan-2-yl)formamide

N-ethyl-N-(1,1,1-trifluorobutan-2-yl)formamide (PubChem CID 145203970) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is N-ethyl-N-(1,1,1-trifluorobutan-2-yl)formamide.

Molecular Properties

Compound NameN-ethyl-N-(1,1,1-trifluorobutan-2-yl)formamide
PubChem CID145203970
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC NameN-ethyl-N-(1,1,1-trifluorobutan-2-yl)formamide
SMILESCCC(N(C=O)CC)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-3-6(7(8,9)10)11(4-2)5-12/h5-6H,3-4H2,1-2H3
InChIKeyZELUEYCHQRKJKK-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
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-isopropyl-N-n-propylformamide
CID 19070657
N,N-bis(2,3-difluoropropyl)formamide
CID 21311164
N-ethyl-N-(2,2,2-trifluoroethyl)formamide
CID 54553159
N-(difluoromethyl)-N-propan-2-ylformamide
CID 56620564
N-cyclopropyl-N-(2,2,2-trifluoroethyl)formamide
CID 64992143
N-propan-2-yl-N-(2,2,2-trifluoroethyl)formamide
CID 64992200
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
N-butan-2-yl-N-(difluoromethyl)formamide
CID 87322123
N-(difluoromethyl)-N-propylformamide
CID 87322441
N-butyl-N-(trifluoromethyl)formamide
CID 87440981

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1,1,1-trifluorobutan-2-yl)formamide?
The IUPAC name of N-ethyl-N-(1,1,1-trifluorobutan-2-yl)formamide (CID 145203970) is N-ethyl-N-(1,1,1-trifluorobutan-2-yl)formamide.
What is the SMILES notation for N-ethyl-N-(1,1,1-trifluorobutan-2-yl)formamide?
The canonical SMILES for N-ethyl-N-(1,1,1-trifluorobutan-2-yl)formamide is CCC(N(C=O)CC)C(F)(F)F.
What is the InChIKey of N-ethyl-N-(1,1,1-trifluorobutan-2-yl)formamide?
The InChIKey is ZELUEYCHQRKJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-3-6(7(8,9)10)11(4-2)5-12/h5-6H,3-4H2,1-2H3.
What are the key properties of N-ethyl-N-(1,1,1-trifluorobutan-2-yl)formamide?
N-ethyl-N-(1,1,1-trifluorobutan-2-yl)formamide has a molecular weight of 183.17 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1,1,1-trifluorobutan-2-yl)formamide is sourced from PubChem (CID 145203970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).