[4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methanamine

C9H10F3N — CID 129210154

IUPAC[4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methanamine
SMILESNCC1=CC=C(C(F)(F)F)CC=C1
InChIInChI=1S/C9H10F3N/c10-9(11,12)8-3-1-2-7(6-13)4-5-8/h1-2,4-5H,3,6,13H2
InChIKeyQAMWXLLRCGESPF-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.32
Rot. Bonds1

About [4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methanamine

[4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methanamine (PubChem CID 129210154) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is [4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methanamine.

Molecular Properties

Compound Name[4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methanamine
PubChem CID129210154
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name[4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methanamine
SMILESNCC1=CC=C(C(F)(F)F)CC=C1
InChIInChI=1S/C9H10F3N/c10-9(11,12)8-3-1-2-7(6-13)4-5-8/h1-2,4-5H,3,6,13H2
InChIKeyQAMWXLLRCGESPF-UHFFFAOYSA-N
XLogP2.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methanamine?
The IUPAC name of [4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methanamine (CID 129210154) is [4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methanamine.
What is the SMILES notation for [4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methanamine?
The canonical SMILES for [4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methanamine is NCC1=CC=C(C(F)(F)F)CC=C1.
What is the InChIKey of [4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methanamine?
The InChIKey is QAMWXLLRCGESPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c10-9(11,12)8-3-1-2-7(6-13)4-5-8/h1-2,4-5H,3,6,13H2.
What are the key properties of [4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methanamine?
[4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methanamine has a molecular weight of 189.18 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)cyclohepta-1,3,6-trien-1-yl]methanamine is sourced from PubChem (CID 129210154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).