2,4,6-trifluorocyclohexa-1,5-dien-1-amine

C6H6F3N — CID 138672308

IUPAC2,4,6-trifluorocyclohexa-1,5-dien-1-amine
SMILESNC1=C(F)CC(F)C=C1F
InChIInChI=1S/C6H6F3N/c7-3-1-4(8)6(10)5(9)2-3/h1,3H,2,10H2
InChIKeyGWFVXSXDKANTHJ-UHFFFAOYSA-N
MW149.11 g/mol
LogP1.72
Rot. Bonds

About 2,4,6-trifluorocyclohexa-1,5-dien-1-amine

2,4,6-trifluorocyclohexa-1,5-dien-1-amine (PubChem CID 138672308) has the molecular formula C6H6F3N and a molecular weight of 149.11 g/mol. Its IUPAC name is 2,4,6-trifluorocyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name2,4,6-trifluorocyclohexa-1,5-dien-1-amine
PubChem CID138672308
Molecular FormulaC6H6F3N
Molecular Weight149.11 g/mol
Exact Mass149.05
IUPAC Name2,4,6-trifluorocyclohexa-1,5-dien-1-amine
SMILESNC1=C(F)CC(F)C=C1F
InChIInChI=1S/C6H6F3N/c7-3-1-4(8)6(10)5(9)2-3/h1,3H,2,10H2
InChIKeyGWFVXSXDKANTHJ-UHFFFAOYSA-N
XLogP1.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluorocyclohexa-1,5-dien-1-amine?
The IUPAC name of 2,4,6-trifluorocyclohexa-1,5-dien-1-amine (CID 138672308) is 2,4,6-trifluorocyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 2,4,6-trifluorocyclohexa-1,5-dien-1-amine?
The canonical SMILES for 2,4,6-trifluorocyclohexa-1,5-dien-1-amine is NC1=C(F)CC(F)C=C1F.
What is the InChIKey of 2,4,6-trifluorocyclohexa-1,5-dien-1-amine?
The InChIKey is GWFVXSXDKANTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N/c7-3-1-4(8)6(10)5(9)2-3/h1,3H,2,10H2.
What are the key properties of 2,4,6-trifluorocyclohexa-1,5-dien-1-amine?
2,4,6-trifluorocyclohexa-1,5-dien-1-amine has a molecular weight of 149.11 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluorocyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 138672308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).