(E)-N-(2,2,2-trifluoroethyl)prop-1-en-1-amine

C5H8F3N — CID 145356079

IUPAC(E)-N-(2,2,2-trifluoroethyl)prop-1-en-1-amine
SMILESC/C=C/NCC(F)(F)F
InChIInChI=1S/C5H8F3N/c1-2-3-9-4-5(6,7)8/h2-3,9H,4H2,1H3/b3-2+
InChIKeyVWMZGTJPWACKKB-NSCUHMNNSA-N
MW139.12 g/mol
LogP1.67
Rot. Bonds2

About (E)-N-(2,2,2-trifluoroethyl)prop-1-en-1-amine

(E)-N-(2,2,2-trifluoroethyl)prop-1-en-1-amine (PubChem CID 145356079) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is (E)-N-(2,2,2-trifluoroethyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2,2,2-trifluoroethyl)prop-1-en-1-amine
PubChem CID145356079
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name(E)-N-(2,2,2-trifluoroethyl)prop-1-en-1-amine
SMILESC/C=C/NCC(F)(F)F
InChIInChI=1S/C5H8F3N/c1-2-3-9-4-5(6,7)8/h2-3,9H,4H2,1H3/b3-2+
InChIKeyVWMZGTJPWACKKB-NSCUHMNNSA-N
XLogP1.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Trifluoromethyl)isobutenylamine
CID 129809183
Ethyl propylenamine
CID 11446289
Methyl propylene amine
CID 12676328
Ethyl(1-propenyl)amine
CID 53718914
Di(1-propenyl)amine
CID 54562818
(Z)-N-(2,2-difluoroethyl)prop-1-en-1-amine
CID 87692914
(1E)-1-fluoro-N-methylbuta-1,3-dien-1-amine
CID 118349261
(E)-N-(2,2-difluoroethyl)-N-methylprop-1-en-1-amine
CID 123750010
(Z)-N-(difluoromethyl)-N-methylprop-1-en-1-amine
CID 126720227
(E)-N-(2,2-difluoroethyl)prop-1-en-1-amine
CID 126738539
(1E)-2-fluoro-N-methylbuta-1,3-dien-1-amine
CID 129130711
(E)-3,3,3-trifluoro-N,2-dimethylprop-1-en-1-amine
CID 134257496

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,2,2-trifluoroethyl)prop-1-en-1-amine?
The IUPAC name of (E)-N-(2,2,2-trifluoroethyl)prop-1-en-1-amine (CID 145356079) is (E)-N-(2,2,2-trifluoroethyl)prop-1-en-1-amine.
What is the SMILES notation for (E)-N-(2,2,2-trifluoroethyl)prop-1-en-1-amine?
The canonical SMILES for (E)-N-(2,2,2-trifluoroethyl)prop-1-en-1-amine is C/C=C/NCC(F)(F)F.
What is the InChIKey of (E)-N-(2,2,2-trifluoroethyl)prop-1-en-1-amine?
The InChIKey is VWMZGTJPWACKKB-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H8F3N/c1-2-3-9-4-5(6,7)8/h2-3,9H,4H2,1H3/b3-2+.
What are the key properties of (E)-N-(2,2,2-trifluoroethyl)prop-1-en-1-amine?
(E)-N-(2,2,2-trifluoroethyl)prop-1-en-1-amine has a molecular weight of 139.12 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,2,2-trifluoroethyl)prop-1-en-1-amine is sourced from PubChem (CID 145356079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).