N-ethyl-N-(3,3,3-trifluoropropyl)formamide

C6H10F3NO — CID 155687560

IUPACN-ethyl-N-(3,3,3-trifluoropropyl)formamide
SMILESCCN(C=O)CCC(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-2-10(5-11)4-3-6(7,8)9/h5H,2-4H2,1H3
InChIKeyYESJUSUDZQRYRD-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.42
Rot. Bonds4

About N-ethyl-N-(3,3,3-trifluoropropyl)formamide

N-ethyl-N-(3,3,3-trifluoropropyl)formamide (PubChem CID 155687560) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is N-ethyl-N-(3,3,3-trifluoropropyl)formamide.

Molecular Properties

Compound NameN-ethyl-N-(3,3,3-trifluoropropyl)formamide
PubChem CID155687560
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC NameN-ethyl-N-(3,3,3-trifluoropropyl)formamide
SMILESCCN(C=O)CCC(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-2-10(5-11)4-3-6(7,8)9/h5H,2-4H2,1H3
InChIKeyYESJUSUDZQRYRD-UHFFFAOYSA-N
XLogP1.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.42
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-ethyl-N-(3,3,3-trifluoropropyl)formamide?
The IUPAC name of N-ethyl-N-(3,3,3-trifluoropropyl)formamide (CID 155687560) is N-ethyl-N-(3,3,3-trifluoropropyl)formamide.
What is the SMILES notation for N-ethyl-N-(3,3,3-trifluoropropyl)formamide?
The canonical SMILES for N-ethyl-N-(3,3,3-trifluoropropyl)formamide is CCN(C=O)CCC(F)(F)F.
What is the InChIKey of N-ethyl-N-(3,3,3-trifluoropropyl)formamide?
The InChIKey is YESJUSUDZQRYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-2-10(5-11)4-3-6(7,8)9/h5H,2-4H2,1H3.
What are the key properties of N-ethyl-N-(3,3,3-trifluoropropyl)formamide?
N-ethyl-N-(3,3,3-trifluoropropyl)formamide has a molecular weight of 169.15 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3,3,3-trifluoropropyl)formamide is sourced from PubChem (CID 155687560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).