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

C6H8F3NO — CID 64992143

IUPACN-cyclopropyl-N-(2,2,2-trifluoroethyl)formamide
SMILESO=CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C6H8F3NO/c7-6(8,9)3-10(4-11)5-1-2-5/h4-5H,1-3H2
InChIKeyOEKAKZJBQSBZRI-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.17
Rot. Bonds3

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

N-cyclopropyl-N-(2,2,2-trifluoroethyl)formamide (PubChem CID 64992143) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is N-cyclopropyl-N-(2,2,2-trifluoroethyl)formamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2,2,2-trifluoroethyl)formamide
PubChem CID64992143
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC NameN-cyclopropyl-N-(2,2,2-trifluoroethyl)formamide
SMILESO=CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C6H8F3NO/c7-6(8,9)3-10(4-11)5-1-2-5/h4-5H,1-3H2
InChIKeyOEKAKZJBQSBZRI-UHFFFAOYSA-N
XLogP1.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.17
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-(difluoromethyl)-N-propan-2-ylformamide
CID 56620564
N-propan-2-yl-N-(2,2,2-trifluoroethyl)formamide
CID 64992200
N-butan-2-yl-N-(trifluoromethyl)formamide
CID 87321578
N-butan-2-yl-N-(difluoromethyl)formamide
CID 87322123
N-propan-2-yl-N-(trifluoromethyl)formamide
CID 91282658
N-(2,2-difluoroethyl)-N-propan-2-ylformamide
CID 127008222
N-ethyl-N-(1,1,1-trifluorobutan-2-yl)formamide
CID 145203970
N-ethyl-N-(3,3,3-trifluoropropyl)formamide
CID 155687560
N-(2-fluorocyclopropyl)-N-methylformamide
CID 175150549
N-(2,2-difluorocyclopropyl)-N-methylformamide
CID 175155038
N-cyclopropyl-N-propan-2-ylformamide
CID 10630497
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)formamide
CID 64992300

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2,2,2-trifluoroethyl)formamide?
The IUPAC name of N-cyclopropyl-N-(2,2,2-trifluoroethyl)formamide (CID 64992143) is N-cyclopropyl-N-(2,2,2-trifluoroethyl)formamide.
What is the SMILES notation for N-cyclopropyl-N-(2,2,2-trifluoroethyl)formamide?
The canonical SMILES for N-cyclopropyl-N-(2,2,2-trifluoroethyl)formamide is O=CN(CC(F)(F)F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2,2,2-trifluoroethyl)formamide?
The InChIKey is OEKAKZJBQSBZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-6(8,9)3-10(4-11)5-1-2-5/h4-5H,1-3H2.
What are the key properties of N-cyclopropyl-N-(2,2,2-trifluoroethyl)formamide?
N-cyclopropyl-N-(2,2,2-trifluoroethyl)formamide has a molecular weight of 167.13 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2,2,2-trifluoroethyl)formamide is sourced from PubChem (CID 64992143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).