(Z)-N,1,3,3,3-pentafluoro-N-(trifluoromethyl)prop-1-en-1-amine

C4HF8N — CID 134534210

IUPAC(Z)-N,1,3,3,3-pentafluoro-N-(trifluoromethyl)prop-1-en-1-amine
SMILESF/C(=C\C(F)(F)F)N(F)C(F)(F)F
InChIInChI=1S/C4HF8N/c5-2(1-3(6,7)8)13(12)4(9,10)11/h1H/b2-1+
InChIKeyPCCBFUYPGQXYCE-OWOJBTEDSA-N
MW215.04 g/mol
LogP3.07
Rot. Bonds1

About (Z)-N,1,3,3,3-pentafluoro-N-(trifluoromethyl)prop-1-en-1-amine

(Z)-N,1,3,3,3-pentafluoro-N-(trifluoromethyl)prop-1-en-1-amine (PubChem CID 134534210) has the molecular formula C4HF8N and a molecular weight of 215.04 g/mol. Its IUPAC name is (Z)-N,1,3,3,3-pentafluoro-N-(trifluoromethyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N,1,3,3,3-pentafluoro-N-(trifluoromethyl)prop-1-en-1-amine
PubChem CID134534210
Molecular FormulaC4HF8N
Molecular Weight215.04 g/mol
Exact Mass215.00
IUPAC Name(Z)-N,1,3,3,3-pentafluoro-N-(trifluoromethyl)prop-1-en-1-amine
SMILESF/C(=C\C(F)(F)F)N(F)C(F)(F)F
InChIInChI=1S/C4HF8N/c5-2(1-3(6,7)8)13(12)4(9,10)11/h1H/b2-1+
InChIKeyPCCBFUYPGQXYCE-OWOJBTEDSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,1,3,3,3-pentafluoro-N-(trifluoromethyl)prop-1-en-1-amine?
The IUPAC name of (Z)-N,1,3,3,3-pentafluoro-N-(trifluoromethyl)prop-1-en-1-amine (CID 134534210) is (Z)-N,1,3,3,3-pentafluoro-N-(trifluoromethyl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-N,1,3,3,3-pentafluoro-N-(trifluoromethyl)prop-1-en-1-amine?
The canonical SMILES for (Z)-N,1,3,3,3-pentafluoro-N-(trifluoromethyl)prop-1-en-1-amine is F/C(=C\C(F)(F)F)N(F)C(F)(F)F.
What is the InChIKey of (Z)-N,1,3,3,3-pentafluoro-N-(trifluoromethyl)prop-1-en-1-amine?
The InChIKey is PCCBFUYPGQXYCE-OWOJBTEDSA-N. The full InChI is InChI=1S/C4HF8N/c5-2(1-3(6,7)8)13(12)4(9,10)11/h1H/b2-1+.
What are the key properties of (Z)-N,1,3,3,3-pentafluoro-N-(trifluoromethyl)prop-1-en-1-amine?
(Z)-N,1,3,3,3-pentafluoro-N-(trifluoromethyl)prop-1-en-1-amine has a molecular weight of 215.04 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,1,3,3,3-pentafluoro-N-(trifluoromethyl)prop-1-en-1-amine is sourced from PubChem (CID 134534210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).