[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine

C8H10F3N — CID 89074114

IUPAC[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine
SMILESNCC1=CCC(C(F)(F)F)C=C1
InChIInChI=1S/C8H10F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-3,7H,4-5,12H2
InChIKeyFNPGXIROBJEJPJ-UHFFFAOYSA-N
MW177.17 g/mol
LogP2.01
Rot. Bonds1

About [4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine

[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine (PubChem CID 89074114) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is [4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine.

Molecular Properties

Compound Name[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine
PubChem CID89074114
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine
SMILESNCC1=CCC(C(F)(F)F)C=C1
InChIInChI=1S/C8H10F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-3,7H,4-5,12H2
InChIKeyFNPGXIROBJEJPJ-UHFFFAOYSA-N
XLogP2.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine?
The IUPAC name of [4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine (CID 89074114) is [4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine.
What is the SMILES notation for [4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine?
The canonical SMILES for [4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine is NCC1=CCC(C(F)(F)F)C=C1.
What is the InChIKey of [4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine?
The InChIKey is FNPGXIROBJEJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-3,7H,4-5,12H2.
What are the key properties of [4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine?
[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine has a molecular weight of 177.17 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methanamine is sourced from PubChem (CID 89074114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).