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

C8H12F3NO — CID 174736493

IUPACN-cyclopentyl-N-(2,2,2-trifluoroethyl)formamide
SMILESO=CN(CC(F)(F)F)C1CCCC1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)5-12(6-13)7-3-1-2-4-7/h6-7H,1-5H2
InChIKeyOPSIMXIXJIODST-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.95
Rot. Bonds3

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

N-cyclopentyl-N-(2,2,2-trifluoroethyl)formamide (PubChem CID 174736493) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is N-cyclopentyl-N-(2,2,2-trifluoroethyl)formamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(2,2,2-trifluoroethyl)formamide
PubChem CID174736493
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC NameN-cyclopentyl-N-(2,2,2-trifluoroethyl)formamide
SMILESO=CN(CC(F)(F)F)C1CCCC1
InChIInChI=1S/C8H12F3NO/c9-8(10,11)5-12(6-13)7-3-1-2-4-7/h6-7H,1-5H2
InChIKeyOPSIMXIXJIODST-UHFFFAOYSA-N
XLogP1.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(2,2,2-trifluoroethyl)formamide?
The IUPAC name of N-cyclopentyl-N-(2,2,2-trifluoroethyl)formamide (CID 174736493) is N-cyclopentyl-N-(2,2,2-trifluoroethyl)formamide.
What is the SMILES notation for N-cyclopentyl-N-(2,2,2-trifluoroethyl)formamide?
The canonical SMILES for N-cyclopentyl-N-(2,2,2-trifluoroethyl)formamide is O=CN(CC(F)(F)F)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(2,2,2-trifluoroethyl)formamide?
The InChIKey is OPSIMXIXJIODST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c9-8(10,11)5-12(6-13)7-3-1-2-4-7/h6-7H,1-5H2.
What are the key properties of N-cyclopentyl-N-(2,2,2-trifluoroethyl)formamide?
N-cyclopentyl-N-(2,2,2-trifluoroethyl)formamide has a molecular weight of 195.18 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(2,2,2-trifluoroethyl)formamide is sourced from PubChem (CID 174736493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).