N-butyl-N-(2,2,2-trifluoroethyl)formamide;ethane

C9H18F3NO — CID 166529351

IUPACN-butyl-N-(2,2,2-trifluoroethyl)formamide;ethane
SMILESCC.CCCCN(C=O)CC(F)(F)F
InChIInChI=1S/C7H12F3NO.C2H6/c1-2-3-4-11(6-12)5-7(8,9)10;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyMONMVPIWTMNPFW-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.83
Rot. Bonds5

About N-butyl-N-(2,2,2-trifluoroethyl)formamide;ethane

N-butyl-N-(2,2,2-trifluoroethyl)formamide;ethane (PubChem CID 166529351) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is N-butyl-N-(2,2,2-trifluoroethyl)formamide;ethane.

Molecular Properties

Compound NameN-butyl-N-(2,2,2-trifluoroethyl)formamide;ethane
PubChem CID166529351
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC NameN-butyl-N-(2,2,2-trifluoroethyl)formamide;ethane
SMILESCC.CCCCN(C=O)CC(F)(F)F
InChIInChI=1S/C7H12F3NO.C2H6/c1-2-3-4-11(6-12)5-7(8,9)10;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyMONMVPIWTMNPFW-UHFFFAOYSA-N
XLogP2.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.83
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-Dibutylformamide
CID 12975
N,N-Dibutyl-2,2,2-trifluoroacetamide
CID 307195
N-(2,2,3,4,4,4-hexafluorobutyl)-N-methylformamide
CID 17997699
N,N-bis(2,2,3,3,4,4,4-heptafluorobutyl)formamide
CID 21250086
N,N-bis(4,4,5,5,5-pentafluoropentyl)formamide
CID 21250096
N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylformamide
CID 54251533
N-ethyl-N-(2,2,2-trifluoroethyl)formamide
CID 54553159
N-methyl-N-(3,3,3-trifluoropropyl)formamide
CID 65545886
N,N-dibutyl-2,2-difluoroacetamide
CID 85781683
N-propyl-N-(trifluoromethyl)formamide
CID 87321400
N-(difluoromethyl)-N-propylformamide
CID 87322441
N-butyl-N-(trifluoromethyl)formamide
CID 87440981

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)formamide;ethane?
The IUPAC name of N-butyl-N-(2,2,2-trifluoroethyl)formamide;ethane (CID 166529351) is N-butyl-N-(2,2,2-trifluoroethyl)formamide;ethane.
What is the SMILES notation for N-butyl-N-(2,2,2-trifluoroethyl)formamide;ethane?
The canonical SMILES for N-butyl-N-(2,2,2-trifluoroethyl)formamide;ethane is CC.CCCCN(C=O)CC(F)(F)F.
What is the InChIKey of N-butyl-N-(2,2,2-trifluoroethyl)formamide;ethane?
The InChIKey is MONMVPIWTMNPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO.C2H6/c1-2-3-4-11(6-12)5-7(8,9)10;1-2/h6H,2-5H2,1H3;1-2H3.
What are the key properties of N-butyl-N-(2,2,2-trifluoroethyl)formamide;ethane?
N-butyl-N-(2,2,2-trifluoroethyl)formamide;ethane has a molecular weight of 213.24 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2,2,2-trifluoroethyl)formamide;ethane is sourced from PubChem (CID 166529351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).