2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine

C5HF10N — CID 158232120

IUPAC2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine
SMILESFC(=CN(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HF10N/c6-2(3(7,8)9)1-16(4(10,11)12)5(13,14)15/h1H
InChIKeyGEMSGSBEZABSED-UHFFFAOYSA-N
MW265.05 g/mol
LogP3.70
Rot. Bonds1

About 2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine

2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine (PubChem CID 158232120) has the molecular formula C5HF10N and a molecular weight of 265.05 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine
PubChem CID158232120
Molecular FormulaC5HF10N
Molecular Weight265.05 g/mol
Exact Mass264.99
IUPAC Name2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine
SMILESFC(=CN(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5HF10N/c6-2(3(7,8)9)1-16(4(10,11)12)5(13,14)15/h1H
InChIKeyGEMSGSBEZABSED-UHFFFAOYSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 53.70
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 2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine?
The IUPAC name of 2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine (CID 158232120) is 2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine.
What is the SMILES notation for 2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine?
The canonical SMILES for 2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine is FC(=CN(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine?
The InChIKey is GEMSGSBEZABSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF10N/c6-2(3(7,8)9)1-16(4(10,11)12)5(13,14)15/h1H.
What are the key properties of 2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine?
2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine has a molecular weight of 265.05 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-N,N-bis(trifluoromethyl)prop-1-en-1-amine is sourced from PubChem (CID 158232120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).