(Z)-5,5,5-trifluoro-N,N,4-trimethylpent-2-en-2-amine

C8H14F3N — CID 88889222

IUPAC(Z)-5,5,5-trifluoro-N,N,4-trimethylpent-2-en-2-amine
SMILESC/C(=C/C(C)C(F)(F)F)N(C)C
InChIInChI=1S/C8H14F3N/c1-6(8(9,10)11)5-7(2)12(3)4/h5-6H,1-4H3/b7-5-
InChIKeyRIEZXDYIHWHIMZ-ALCCZGGFSA-N
MW181.20 g/mol
LogP2.65
Rot. Bonds2

About (Z)-5,5,5-trifluoro-N,N,4-trimethylpent-2-en-2-amine

(Z)-5,5,5-trifluoro-N,N,4-trimethylpent-2-en-2-amine (PubChem CID 88889222) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is (Z)-5,5,5-trifluoro-N,N,4-trimethylpent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-5,5,5-trifluoro-N,N,4-trimethylpent-2-en-2-amine
PubChem CID88889222
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name(Z)-5,5,5-trifluoro-N,N,4-trimethylpent-2-en-2-amine
SMILESC/C(=C/C(C)C(F)(F)F)N(C)C
InChIInChI=1S/C8H14F3N/c1-6(8(9,10)11)5-7(2)12(3)4/h5-6H,1-4H3/b7-5-
InChIKeyRIEZXDYIHWHIMZ-ALCCZGGFSA-N
XLogP2.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-5,5,5-trifluoro-N,N,4-trimethylpent-2-en-2-amine?
The IUPAC name of (Z)-5,5,5-trifluoro-N,N,4-trimethylpent-2-en-2-amine (CID 88889222) is (Z)-5,5,5-trifluoro-N,N,4-trimethylpent-2-en-2-amine.
What is the SMILES notation for (Z)-5,5,5-trifluoro-N,N,4-trimethylpent-2-en-2-amine?
The canonical SMILES for (Z)-5,5,5-trifluoro-N,N,4-trimethylpent-2-en-2-amine is C/C(=C/C(C)C(F)(F)F)N(C)C.
What is the InChIKey of (Z)-5,5,5-trifluoro-N,N,4-trimethylpent-2-en-2-amine?
The InChIKey is RIEZXDYIHWHIMZ-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H14F3N/c1-6(8(9,10)11)5-7(2)12(3)4/h5-6H,1-4H3/b7-5-.
What are the key properties of (Z)-5,5,5-trifluoro-N,N,4-trimethylpent-2-en-2-amine?
(Z)-5,5,5-trifluoro-N,N,4-trimethylpent-2-en-2-amine has a molecular weight of 181.20 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5,5-trifluoro-N,N,4-trimethylpent-2-en-2-amine is sourced from PubChem (CID 88889222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).