N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine

C6H10F3N — CID 22002036

IUPACN,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine
SMILESC=C(CN(C)C)C(F)(F)F
InChIInChI=1S/C6H10F3N/c1-5(4-10(2)3)6(7,8)9/h1,4H2,2-3H3
InChIKeyBQXTWADWOQNZLS-UHFFFAOYSA-N
MW153.15 g/mol
LogP1.67
Rot. Bonds2

About N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine

N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine (PubChem CID 22002036) has the molecular formula C6H10F3N and a molecular weight of 153.15 g/mol. Its IUPAC name is N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine
PubChem CID22002036
Molecular FormulaC6H10F3N
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC NameN,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine
SMILESC=C(CN(C)C)C(F)(F)F
InChIInChI=1S/C6H10F3N/c1-5(4-10(2)3)6(7,8)9/h1,4H2,2-3H3
InChIKeyBQXTWADWOQNZLS-UHFFFAOYSA-N
XLogP1.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine?
The IUPAC name of N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine (CID 22002036) is N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine.
What is the SMILES notation for N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine?
The canonical SMILES for N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine is C=C(CN(C)C)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine?
The InChIKey is BQXTWADWOQNZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N/c1-5(4-10(2)3)6(7,8)9/h1,4H2,2-3H3.
What are the key properties of N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine?
N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine has a molecular weight of 153.15 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine is sourced from PubChem (CID 22002036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).