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

C8H14F3NO — CID 156794422

IUPACN-(2-methylbutyl)-N-(2,2,2-trifluoroethyl)formamide
SMILESCCC(C)CN(C=O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-3-7(2)4-12(6-13)5-8(9,10)11/h6-7H,3-5H2,1-2H3
InChIKeyMVRLGZIBIBNCPC-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.05
Rot. Bonds5

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

N-(2-methylbutyl)-N-(2,2,2-trifluoroethyl)formamide (PubChem CID 156794422) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N-(2-methylbutyl)-N-(2,2,2-trifluoroethyl)formamide.

Molecular Properties

Compound NameN-(2-methylbutyl)-N-(2,2,2-trifluoroethyl)formamide
PubChem CID156794422
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN-(2-methylbutyl)-N-(2,2,2-trifluoroethyl)formamide
SMILESCCC(C)CN(C=O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-3-7(2)4-12(6-13)5-8(9,10)11/h6-7H,3-5H2,1-2H3
InChIKeyMVRLGZIBIBNCPC-UHFFFAOYSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-methylbutyl)-N-(2,2,2-trifluoroethyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-formyl diisoamylamine
CID 19803158
2,2,2-trifluoro-N-methyl-N-(3-methylbutyl)acetamide
CID 62728772
N-butyl-N-(trifluoromethyl)formamide
CID 87440981
4-Ethyl-3,3-difluoropiperidine-1-carbaldehyde
CID 88913127
N-(2,2-difluorobutyl)-N-methylformamide
CID 89308150
N-(2-methylbutyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 89877160
N-[(2S)-2-methylbutyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 89877198
2,2-difluoro-N-methyl-N-(3-methylbutyl)acetamide
CID 103515114
N-[(2-fluorocyclopropyl)methyl]-N-(3-methylbutyl)formamide
CID 123768064
3-(Trifluoromethyl)pyrrolidine-1-carbaldehyde
CID 130507448
ethane;N-(2-methylbutyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 144292556
N-ethyl-N-(3,3,3-trifluoropropyl)formamide
CID 155687560

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-N-(2,2,2-trifluoroethyl)formamide?
The IUPAC name of N-(2-methylbutyl)-N-(2,2,2-trifluoroethyl)formamide (CID 156794422) is N-(2-methylbutyl)-N-(2,2,2-trifluoroethyl)formamide.
What is the SMILES notation for N-(2-methylbutyl)-N-(2,2,2-trifluoroethyl)formamide?
The canonical SMILES for N-(2-methylbutyl)-N-(2,2,2-trifluoroethyl)formamide is CCC(C)CN(C=O)CC(F)(F)F.
What is the InChIKey of N-(2-methylbutyl)-N-(2,2,2-trifluoroethyl)formamide?
The InChIKey is MVRLGZIBIBNCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-3-7(2)4-12(6-13)5-8(9,10)11/h6-7H,3-5H2,1-2H3.
What are the key properties of N-(2-methylbutyl)-N-(2,2,2-trifluoroethyl)formamide?
N-(2-methylbutyl)-N-(2,2,2-trifluoroethyl)formamide has a molecular weight of 197.20 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-N-(2,2,2-trifluoroethyl)formamide is sourced from PubChem (CID 156794422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).