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

C8H10F7N — CID 13179200

IUPACN,N-diethyl-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-en-1-amine
SMILESCCN(CC)C(F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F7N/c1-3-16(4-2)6(9)5(7(10,11)12)8(13,14)15/h3-4H2,1-2H3
InChIKeyNNROULUNBQKCHB-UHFFFAOYSA-N
MW253.16 g/mol
LogP3.63
Rot. Bonds3

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

N,N-diethyl-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-en-1-amine (PubChem CID 13179200) has the molecular formula C8H10F7N and a molecular weight of 253.16 g/mol. Its IUPAC name is N,N-diethyl-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-en-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-en-1-amine
PubChem CID13179200
Molecular FormulaC8H10F7N
Molecular Weight253.16 g/mol
Exact Mass253.07
IUPAC NameN,N-diethyl-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-en-1-amine
SMILESCCN(CC)C(F)=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F7N/c1-3-16(4-2)6(9)5(7(10,11)12)8(13,14)15/h3-4H2,1-2H3
InChIKeyNNROULUNBQKCHB-UHFFFAOYSA-N
XLogP3.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.16
LogP ≤ 53.63
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 N,N-diethyl-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-en-1-amine?
The IUPAC name of N,N-diethyl-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-en-1-amine (CID 13179200) is N,N-diethyl-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-en-1-amine.
What is the SMILES notation for N,N-diethyl-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-en-1-amine?
The canonical SMILES for N,N-diethyl-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-en-1-amine is CCN(CC)C(F)=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N,N-diethyl-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-en-1-amine?
The InChIKey is NNROULUNBQKCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F7N/c1-3-16(4-2)6(9)5(7(10,11)12)8(13,14)15/h3-4H2,1-2H3.
What are the key properties of N,N-diethyl-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-en-1-amine?
N,N-diethyl-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-en-1-amine has a molecular weight of 253.16 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-en-1-amine is sourced from PubChem (CID 13179200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).