2,3,3-trifluoro-N,N-dimethyl-1-(4-methylphenyl)prop-2-en-1-amine

C12H14F3N — CID 11009737

IUPAC2,3,3-trifluoro-N,N-dimethyl-1-(4-methylphenyl)prop-2-en-1-amine
SMILESCc1ccc(C(C(F)=C(F)F)N(C)C)cc1
InChIInChI=1S/C12H14F3N/c1-8-4-6-9(7-5-8)11(16(2)3)10(13)12(14)15/h4-7,11H,1-3H3
InChIKeyASODZXMJOHWSND-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.68
Rot. Bonds3

About 2,3,3-trifluoro-N,N-dimethyl-1-(4-methylphenyl)prop-2-en-1-amine

2,3,3-trifluoro-N,N-dimethyl-1-(4-methylphenyl)prop-2-en-1-amine (PubChem CID 11009737) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is 2,3,3-trifluoro-N,N-dimethyl-1-(4-methylphenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2,3,3-trifluoro-N,N-dimethyl-1-(4-methylphenyl)prop-2-en-1-amine
PubChem CID11009737
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name2,3,3-trifluoro-N,N-dimethyl-1-(4-methylphenyl)prop-2-en-1-amine
SMILESCc1ccc(C(C(F)=C(F)F)N(C)C)cc1
InChIInChI=1S/C12H14F3N/c1-8-4-6-9(7-5-8)11(16(2)3)10(13)12(14)15/h4-7,11H,1-3H3
InChIKeyASODZXMJOHWSND-UHFFFAOYSA-N
XLogP3.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trifluoro-N,N-dimethyl-1-(4-methylphenyl)prop-2-en-1-amine?
The IUPAC name of 2,3,3-trifluoro-N,N-dimethyl-1-(4-methylphenyl)prop-2-en-1-amine (CID 11009737) is 2,3,3-trifluoro-N,N-dimethyl-1-(4-methylphenyl)prop-2-en-1-amine.
What is the SMILES notation for 2,3,3-trifluoro-N,N-dimethyl-1-(4-methylphenyl)prop-2-en-1-amine?
The canonical SMILES for 2,3,3-trifluoro-N,N-dimethyl-1-(4-methylphenyl)prop-2-en-1-amine is Cc1ccc(C(C(F)=C(F)F)N(C)C)cc1.
What is the InChIKey of 2,3,3-trifluoro-N,N-dimethyl-1-(4-methylphenyl)prop-2-en-1-amine?
The InChIKey is ASODZXMJOHWSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-8-4-6-9(7-5-8)11(16(2)3)10(13)12(14)15/h4-7,11H,1-3H3.
What are the key properties of 2,3,3-trifluoro-N,N-dimethyl-1-(4-methylphenyl)prop-2-en-1-amine?
2,3,3-trifluoro-N,N-dimethyl-1-(4-methylphenyl)prop-2-en-1-amine has a molecular weight of 229.24 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trifluoro-N,N-dimethyl-1-(4-methylphenyl)prop-2-en-1-amine is sourced from PubChem (CID 11009737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).