5,5,5-trifluoro-N,N-dimethylpent-1-en-2-amine

C7H12F3N — CID 126693058

IUPAC5,5,5-trifluoro-N,N-dimethylpent-1-en-2-amine
SMILESC=C(CCC(F)(F)F)N(C)C
InChIInChI=1S/C7H12F3N/c1-6(11(2)3)4-5-7(8,9)10/h1,4-5H2,2-3H3
InChIKeyQJRHTJKTOJVWKT-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.40
Rot. Bonds3

About 5,5,5-trifluoro-N,N-dimethylpent-1-en-2-amine

5,5,5-trifluoro-N,N-dimethylpent-1-en-2-amine (PubChem CID 126693058) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 5,5,5-trifluoro-N,N-dimethylpent-1-en-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N,N-dimethylpent-1-en-2-amine
PubChem CID126693058
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name5,5,5-trifluoro-N,N-dimethylpent-1-en-2-amine
SMILESC=C(CCC(F)(F)F)N(C)C
InChIInChI=1S/C7H12F3N/c1-6(11(2)3)4-5-7(8,9)10/h1,4-5H2,2-3H3
InChIKeyQJRHTJKTOJVWKT-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-N,N-dimethylbut-1-en-2-amine
CID 89662729
N-(1-fluoroethenyl)-N-methylbut-1-en-2-amine
CID 144946153
4,4-Difluoro-1-methyl-2-methylidenepyrrolidine
CID 146609473
3,3,4,4,4-pentafluoro-N,N-dimethylbut-1-en-2-amine
CID 144013811
N,N-dimethylpent-1-en-2-amine
CID 23565363

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N,N-dimethylpent-1-en-2-amine?
The IUPAC name of 5,5,5-trifluoro-N,N-dimethylpent-1-en-2-amine (CID 126693058) is 5,5,5-trifluoro-N,N-dimethylpent-1-en-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-N,N-dimethylpent-1-en-2-amine?
The canonical SMILES for 5,5,5-trifluoro-N,N-dimethylpent-1-en-2-amine is C=C(CCC(F)(F)F)N(C)C.
What is the InChIKey of 5,5,5-trifluoro-N,N-dimethylpent-1-en-2-amine?
The InChIKey is QJRHTJKTOJVWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-6(11(2)3)4-5-7(8,9)10/h1,4-5H2,2-3H3.
What are the key properties of 5,5,5-trifluoro-N,N-dimethylpent-1-en-2-amine?
5,5,5-trifluoro-N,N-dimethylpent-1-en-2-amine has a molecular weight of 167.17 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N,N-dimethylpent-1-en-2-amine is sourced from PubChem (CID 126693058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).