N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)formamide

C8H12F3NO — CID 64990544

IUPACN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)formamide
SMILESCC(C1CC1)N(C=O)CC(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-6(7-2-3-7)12(5-13)4-8(9,10)11/h5-7H,2-4H2,1H3
InChIKeySITVKZOZGYIKAU-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.81
Rot. Bonds4

About N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)formamide

N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)formamide (PubChem CID 64990544) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)formamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)formamide
PubChem CID64990544
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC NameN-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)formamide
SMILESCC(C1CC1)N(C=O)CC(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-6(7-2-3-7)12(5-13)4-8(9,10)11/h5-7H,2-4H2,1H3
InChIKeySITVKZOZGYIKAU-UHFFFAOYSA-N
XLogP1.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
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-[(2-fluorocyclopropyl)methyl]-N-(3-methylbutyl)formamide
CID 123768064
N-(2-methylbutyl)-N-(2,2,2-trifluoroethyl)formamide
CID 156794422
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60717509
N-(1-cyclopropylethyl)-2,2,2-trifluoro-N-methylacetamide
CID 62728778
N-(1-cyclopropylethyl)-2,2,2-trifluoro-N-(2,2,2-trifluoroethyl)acetamide
CID 63940818
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)formamide
CID 64992300
N-(1-cyclopropylethyl)-2,2-difluoro-N-(2,2,2-trifluoroethyl)acetamide
CID 103514738
N-(1-cyclopropylethyl)-2,2-difluoro-N-methylacetamide
CID 103515345
N-(1-cyclopropylethyl)-N-ethyl-2,2,2-trifluoroacetamide
CID 127002602
N-(1-cyclopropylethyl)-N-ethylformamide
CID 127002601
N-(cyclopropylmethyl)-N-[(2R)-3-methylbutan-2-yl]formamide
CID 146435920
N-cyclopropyl-N-(3-methylbutyl)formamide
CID 64990775

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)formamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)formamide (CID 64990544) is N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)formamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)formamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)formamide is CC(C1CC1)N(C=O)CC(F)(F)F.
What is the InChIKey of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)formamide?
The InChIKey is SITVKZOZGYIKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-6(7-2-3-7)12(5-13)4-8(9,10)11/h5-7H,2-4H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)formamide?
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)formamide has a molecular weight of 195.18 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-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)formamide is sourced from PubChem (CID 64990544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).