1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine

C10H14F3N — CID 135190509

IUPAC1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
SMILESCC1=C(C(F)(F)F)C=CCC1C(C)N
InChIInChI=1S/C10H14F3N/c1-6-8(7(2)14)4-3-5-9(6)10(11,12)13/h3,5,7-8H,4,14H2,1-2H3
InChIKeyLSLJZSUUIBCFQO-UHFFFAOYSA-N
MW205.22 g/mol
LogP2.79
Rot. Bonds1

About 1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine

1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine (PubChem CID 135190509) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine.

Molecular Properties

Compound Name1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
PubChem CID135190509
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
SMILESCC1=C(C(F)(F)F)C=CCC1C(C)N
InChIInChI=1S/C10H14F3N/c1-6-8(7(2)14)4-3-5-9(6)10(11,12)13/h3,5,7-8H,4,14H2,1-2H3
InChIKeyLSLJZSUUIBCFQO-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine?
The IUPAC name of 1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine (CID 135190509) is 1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine.
What is the SMILES notation for 1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine?
The canonical SMILES for 1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine is CC1=C(C(F)(F)F)C=CCC1C(C)N.
What is the InChIKey of 1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine?
The InChIKey is LSLJZSUUIBCFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N/c1-6-8(7(2)14)4-3-5-9(6)10(11,12)13/h3,5,7-8H,4,14H2,1-2H3.
What are the key properties of 1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine?
1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine has a molecular weight of 205.22 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine is sourced from PubChem (CID 135190509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).