(E)-3,3,3-trifluoro-N-methylprop-1-en-1-amine

C4H6F3N — CID 170291370

IUPAC(E)-3,3,3-trifluoro-N-methylprop-1-en-1-amine
SMILESCN/C=C/C(F)(F)F
InChIInChI=1S/C4H6F3N/c1-8-3-2-4(5,6)7/h2-3,8H,1H3/b3-2+
InChIKeyXGJRQCQQTOIONK-NSCUHMNNSA-N
MW125.09 g/mol
LogP1.28
Rot. Bonds1

About (E)-3,3,3-trifluoro-N-methylprop-1-en-1-amine

(E)-3,3,3-trifluoro-N-methylprop-1-en-1-amine (PubChem CID 170291370) has the molecular formula C4H6F3N and a molecular weight of 125.09 g/mol. Its IUPAC name is (E)-3,3,3-trifluoro-N-methylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3,3,3-trifluoro-N-methylprop-1-en-1-amine
PubChem CID170291370
Molecular FormulaC4H6F3N
Molecular Weight125.09 g/mol
Exact Mass125.05
IUPAC Name(E)-3,3,3-trifluoro-N-methylprop-1-en-1-amine
SMILESCN/C=C/C(F)(F)F
InChIInChI=1S/C4H6F3N/c1-8-3-2-4(5,6)7/h2-3,8H,1H3/b3-2+
InChIKeyXGJRQCQQTOIONK-NSCUHMNNSA-N
XLogP1.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.09
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Difluoro-1,2-dihydropyrrole
CID 23512201
(Z)-N-(2,2-difluoroethyl)prop-1-en-1-amine
CID 87692914
(E)-N-(2,2-difluoroethyl)prop-1-en-1-amine
CID 126738539
(Z)-1,3,3,3-tetrafluoro-N-methylprop-1-en-1-amine
CID 130418376
N-ethenyl-2,2,2-trifluoroethanamine
CID 131575085
(Z)-3,3,3-trifluoro-1-N-methylprop-1-ene-1,2-diamine
CID 139452471
(E)-N-(2,2,2-trifluoroethyl)prop-1-en-1-amine
CID 145356079
(1Z,3E)-5,5,5-trifluoro-N-methylpenta-1,3-dien-1-amine
CID 146510829
(Z)-3,3,3-trifluoro-2-N-methylprop-1-ene-1,2-diamine
CID 148321573
(Z)-4,4-difluoro-N-methylbut-1-en-1-amine
CID 155439956
(Z)-N-(2,2-difluoropropyl)but-1-en-1-amine
CID 157848159
N-ethenyl-2,2-difluoropropan-1-amine
CID 158174045

Frequently Asked Questions

What is the IUPAC name of (E)-3,3,3-trifluoro-N-methylprop-1-en-1-amine?
The IUPAC name of (E)-3,3,3-trifluoro-N-methylprop-1-en-1-amine (CID 170291370) is (E)-3,3,3-trifluoro-N-methylprop-1-en-1-amine.
What is the SMILES notation for (E)-3,3,3-trifluoro-N-methylprop-1-en-1-amine?
The canonical SMILES for (E)-3,3,3-trifluoro-N-methylprop-1-en-1-amine is CN/C=C/C(F)(F)F.
What is the InChIKey of (E)-3,3,3-trifluoro-N-methylprop-1-en-1-amine?
The InChIKey is XGJRQCQQTOIONK-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H6F3N/c1-8-3-2-4(5,6)7/h2-3,8H,1H3/b3-2+.
What are the key properties of (E)-3,3,3-trifluoro-N-methylprop-1-en-1-amine?
(E)-3,3,3-trifluoro-N-methylprop-1-en-1-amine has a molecular weight of 125.09 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3,3-trifluoro-N-methylprop-1-en-1-amine is sourced from PubChem (CID 170291370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).