(Z)-1-fluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine

C5H7F4N — CID 167304679

IUPAC(Z)-1-fluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine
SMILESC/C=C(\F)N(C)C(F)(F)F
InChIInChI=1S/C5H7F4N/c1-3-4(6)10(2)5(7,8)9/h3H,1-2H3/b4-3+
InChIKeyQKDWESFEOCFASX-ONEGZZNKSA-N
MW157.11 g/mol
LogP2.27
Rot. Bonds1

About (Z)-1-fluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine

(Z)-1-fluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine (PubChem CID 167304679) has the molecular formula C5H7F4N and a molecular weight of 157.11 g/mol. Its IUPAC name is (Z)-1-fluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-fluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine
PubChem CID167304679
Molecular FormulaC5H7F4N
Molecular Weight157.11 g/mol
Exact Mass157.05
IUPAC Name(Z)-1-fluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine
SMILESC/C=C(\F)N(C)C(F)(F)F
InChIInChI=1S/C5H7F4N/c1-3-4(6)10(2)5(7,8)9/h3H,1-2H3/b4-3+
InChIKeyQKDWESFEOCFASX-ONEGZZNKSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.11
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-fluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine?
The IUPAC name of (Z)-1-fluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine (CID 167304679) is (Z)-1-fluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-1-fluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine?
The canonical SMILES for (Z)-1-fluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine is C/C=C(\F)N(C)C(F)(F)F.
What is the InChIKey of (Z)-1-fluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine?
The InChIKey is QKDWESFEOCFASX-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H7F4N/c1-3-4(6)10(2)5(7,8)9/h3H,1-2H3/b4-3+.
What are the key properties of (Z)-1-fluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine?
(Z)-1-fluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine has a molecular weight of 157.11 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-fluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine is sourced from PubChem (CID 167304679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).