1-fluoro-N,N,2-tris(trifluoromethyl)prop-2-en-1-amine

C6H3F10N — CID 129207804

IUPAC1-fluoro-N,N,2-tris(trifluoromethyl)prop-2-en-1-amine
SMILESC=C(C(F)N(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F10N/c1-2(4(8,9)10)3(7)17(5(11,12)13)6(14,15)16/h3H,1H2
InChIKeyFVZIPASPOIBQTH-UHFFFAOYSA-N
MW279.08 g/mol
LogP3.74
Rot. Bonds2

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

1-fluoro-N,N,2-tris(trifluoromethyl)prop-2-en-1-amine (PubChem CID 129207804) has the molecular formula C6H3F10N and a molecular weight of 279.08 g/mol. Its IUPAC name is 1-fluoro-N,N,2-tris(trifluoromethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-fluoro-N,N,2-tris(trifluoromethyl)prop-2-en-1-amine
PubChem CID129207804
Molecular FormulaC6H3F10N
Molecular Weight279.08 g/mol
Exact Mass279.01
IUPAC Name1-fluoro-N,N,2-tris(trifluoromethyl)prop-2-en-1-amine
SMILESC=C(C(F)N(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F10N/c1-2(4(8,9)10)3(7)17(5(11,12)13)6(14,15)16/h3H,1H2
InChIKeyFVZIPASPOIBQTH-UHFFFAOYSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N,N,2-tris(trifluoromethyl)prop-2-en-1-amine?
The IUPAC name of 1-fluoro-N,N,2-tris(trifluoromethyl)prop-2-en-1-amine (CID 129207804) is 1-fluoro-N,N,2-tris(trifluoromethyl)prop-2-en-1-amine.
What is the SMILES notation for 1-fluoro-N,N,2-tris(trifluoromethyl)prop-2-en-1-amine?
The canonical SMILES for 1-fluoro-N,N,2-tris(trifluoromethyl)prop-2-en-1-amine is C=C(C(F)N(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-fluoro-N,N,2-tris(trifluoromethyl)prop-2-en-1-amine?
The InChIKey is FVZIPASPOIBQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F10N/c1-2(4(8,9)10)3(7)17(5(11,12)13)6(14,15)16/h3H,1H2.
What are the key properties of 1-fluoro-N,N,2-tris(trifluoromethyl)prop-2-en-1-amine?
1-fluoro-N,N,2-tris(trifluoromethyl)prop-2-en-1-amine has a molecular weight of 279.08 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N,N,2-tris(trifluoromethyl)prop-2-en-1-amine is sourced from PubChem (CID 129207804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).