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

C7H13F3N2O — CID 123549916

IUPACN-(ethylaminomethyl)-N-(3,3,3-trifluoropropyl)formamide
SMILESCCNCN(C=O)CCC(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-2-11-5-12(6-13)4-3-7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyOOEXXAHXJMLQFQ-UHFFFAOYSA-N
MW198.19 g/mol
LogP0.96
Rot. Bonds6

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

N-(ethylaminomethyl)-N-(3,3,3-trifluoropropyl)formamide (PubChem CID 123549916) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is N-(ethylaminomethyl)-N-(3,3,3-trifluoropropyl)formamide.

Molecular Properties

Compound NameN-(ethylaminomethyl)-N-(3,3,3-trifluoropropyl)formamide
PubChem CID123549916
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC NameN-(ethylaminomethyl)-N-(3,3,3-trifluoropropyl)formamide
SMILESCCNCN(C=O)CCC(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-2-11-5-12(6-13)4-3-7(8,9)10/h6,11H,2-5H2,1H3
InChIKeyOOEXXAHXJMLQFQ-UHFFFAOYSA-N
XLogP0.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(ethylaminomethyl)-N-(3,3,3-trifluoropropyl)formamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(ethylaminomethyl)-N-(3,3,3-trifluoropropyl)formamide?
The IUPAC name of N-(ethylaminomethyl)-N-(3,3,3-trifluoropropyl)formamide (CID 123549916) is N-(ethylaminomethyl)-N-(3,3,3-trifluoropropyl)formamide.
What is the SMILES notation for N-(ethylaminomethyl)-N-(3,3,3-trifluoropropyl)formamide?
The canonical SMILES for N-(ethylaminomethyl)-N-(3,3,3-trifluoropropyl)formamide is CCNCN(C=O)CCC(F)(F)F.
What is the InChIKey of N-(ethylaminomethyl)-N-(3,3,3-trifluoropropyl)formamide?
The InChIKey is OOEXXAHXJMLQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O/c1-2-11-5-12(6-13)4-3-7(8,9)10/h6,11H,2-5H2,1H3.
What are the key properties of N-(ethylaminomethyl)-N-(3,3,3-trifluoropropyl)formamide?
N-(ethylaminomethyl)-N-(3,3,3-trifluoropropyl)formamide has a molecular weight of 198.19 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylaminomethyl)-N-(3,3,3-trifluoropropyl)formamide is sourced from PubChem (CID 123549916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).