1,1,1-trifluoro-N,N-dimethyl-4-phenylpent-4-en-2-amine

C13H16F3N — CID 10728924

IUPAC1,1,1-trifluoro-N,N-dimethyl-4-phenylpent-4-en-2-amine
SMILESC=C(CC(N(C)C)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H16F3N/c1-10(11-7-5-4-6-8-11)9-12(17(2)3)13(14,15)16/h4-8,12H,1,9H2,2-3H3
InChIKeyGGACCXJBIIMPRR-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.58
Rot. Bonds4

About 1,1,1-trifluoro-N,N-dimethyl-4-phenylpent-4-en-2-amine

1,1,1-trifluoro-N,N-dimethyl-4-phenylpent-4-en-2-amine (PubChem CID 10728924) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-N,N-dimethyl-4-phenylpent-4-en-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N,N-dimethyl-4-phenylpent-4-en-2-amine
PubChem CID10728924
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name1,1,1-trifluoro-N,N-dimethyl-4-phenylpent-4-en-2-amine
SMILESC=C(CC(N(C)C)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H16F3N/c1-10(11-7-5-4-6-8-11)9-12(17(2)3)13(14,15)16/h4-8,12H,1,9H2,2-3H3
InChIKeyGGACCXJBIIMPRR-UHFFFAOYSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N,N-dimethyl-4-phenylpent-4-en-2-amine?
The IUPAC name of 1,1,1-trifluoro-N,N-dimethyl-4-phenylpent-4-en-2-amine (CID 10728924) is 1,1,1-trifluoro-N,N-dimethyl-4-phenylpent-4-en-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N,N-dimethyl-4-phenylpent-4-en-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N,N-dimethyl-4-phenylpent-4-en-2-amine is C=C(CC(N(C)C)C(F)(F)F)c1ccccc1.
What is the InChIKey of 1,1,1-trifluoro-N,N-dimethyl-4-phenylpent-4-en-2-amine?
The InChIKey is GGACCXJBIIMPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-10(11-7-5-4-6-8-11)9-12(17(2)3)13(14,15)16/h4-8,12H,1,9H2,2-3H3.
What are the key properties of 1,1,1-trifluoro-N,N-dimethyl-4-phenylpent-4-en-2-amine?
1,1,1-trifluoro-N,N-dimethyl-4-phenylpent-4-en-2-amine has a molecular weight of 243.27 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N,N-dimethyl-4-phenylpent-4-en-2-amine is sourced from PubChem (CID 10728924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).