4,4,4-trifluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-en-2-amine

C7H9F6N — CID 122595765

IUPAC4,4,4-trifluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-en-2-amine
SMILESCC(=C(C(F)(F)F)C(F)(F)F)N(C)C
InChIInChI=1S/C7H9F6N/c1-4(14(2)3)5(6(8,9)10)7(11,12)13/h1-3H3
InChIKeyKMHBUTCWXSCIGO-UHFFFAOYSA-N
MW221.14 g/mol
LogP2.95
Rot. Bonds1

About 4,4,4-trifluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-en-2-amine

4,4,4-trifluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-en-2-amine (PubChem CID 122595765) has the molecular formula C7H9F6N and a molecular weight of 221.14 g/mol. Its IUPAC name is 4,4,4-trifluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-en-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-en-2-amine
PubChem CID122595765
Molecular FormulaC7H9F6N
Molecular Weight221.14 g/mol
Exact Mass221.06
IUPAC Name4,4,4-trifluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-en-2-amine
SMILESCC(=C(C(F)(F)F)C(F)(F)F)N(C)C
InChIInChI=1S/C7H9F6N/c1-4(14(2)3)5(6(8,9)10)7(11,12)13/h1-3H3
InChIKeyKMHBUTCWXSCIGO-UHFFFAOYSA-N
XLogP2.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-diethyl-4,4,4-trifluoro-3-(trifluoromethyl)but-2-en-2-amine
CID 122595760
1,1-difluoro-N,N-dimethylprop-1-en-2-amine
CID 134530504
1,1-difluoro-N-methyl-N-(trifluoromethyl)prop-1-en-2-amine
CID 134534166
(E)-1,1,1,3,4-pentafluoro-N,N-dimethylbut-2-en-2-amine
CID 155323205
(Z)-1,3,4,4,4-pentafluoro-N,N-dimethylbut-2-en-2-amine
CID 156100312
(Z)-4,4,4-trifluoro-N,N,3-trimethylbut-2-en-2-amine
CID 173660714

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-en-2-amine?
The IUPAC name of 4,4,4-trifluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-en-2-amine (CID 122595765) is 4,4,4-trifluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-en-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-en-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-en-2-amine is CC(=C(C(F)(F)F)C(F)(F)F)N(C)C.
What is the InChIKey of 4,4,4-trifluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-en-2-amine?
The InChIKey is KMHBUTCWXSCIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F6N/c1-4(14(2)3)5(6(8,9)10)7(11,12)13/h1-3H3.
What are the key properties of 4,4,4-trifluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-en-2-amine?
4,4,4-trifluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-en-2-amine has a molecular weight of 221.14 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N,N-dimethyl-3-(trifluoromethyl)but-2-en-2-amine is sourced from PubChem (CID 122595765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).