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

C5H4F7N — CID 129271428

IUPAC(Z)-1,3,3,3-tetrafluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine
SMILESCN(/C(F)=C/C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F7N/c1-13(5(10,11)12)3(6)2-4(7,8)9/h2H,1H3/b3-2+
InChIKeyKZDRKLRIPSBEEZ-NSCUHMNNSA-N
MW211.08 g/mol
LogP2.81
Rot. Bonds1

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

(Z)-1,3,3,3-tetrafluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine (PubChem CID 129271428) has the molecular formula C5H4F7N and a molecular weight of 211.08 g/mol. Its IUPAC name is (Z)-1,3,3,3-tetrafluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1,3,3,3-tetrafluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine
PubChem CID129271428
Molecular FormulaC5H4F7N
Molecular Weight211.08 g/mol
Exact Mass211.02
IUPAC Name(Z)-1,3,3,3-tetrafluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine
SMILESCN(/C(F)=C/C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H4F7N/c1-13(5(10,11)12)3(6)2-4(7,8)9/h2H,1H3/b3-2+
InChIKeyKZDRKLRIPSBEEZ-NSCUHMNNSA-N
XLogP2.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.08
LogP ≤ 52.81
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)-1,3,3,3-tetrafluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine?
The IUPAC name of (Z)-1,3,3,3-tetrafluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine (CID 129271428) is (Z)-1,3,3,3-tetrafluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine.
What is the SMILES notation for (Z)-1,3,3,3-tetrafluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine?
The canonical SMILES for (Z)-1,3,3,3-tetrafluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine is CN(/C(F)=C/C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-1,3,3,3-tetrafluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine?
The InChIKey is KZDRKLRIPSBEEZ-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H4F7N/c1-13(5(10,11)12)3(6)2-4(7,8)9/h2H,1H3/b3-2+.
What are the key properties of (Z)-1,3,3,3-tetrafluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine?
(Z)-1,3,3,3-tetrafluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine has a molecular weight of 211.08 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,3,3,3-tetrafluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine is sourced from PubChem (CID 129271428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).