(2,4,6-trifluorocyclohexa-2,4-dien-1-yl)methanamine

C7H8F3N — CID 138599694

IUPAC(2,4,6-trifluorocyclohexa-2,4-dien-1-yl)methanamine
SMILESNCC1C(F)=CC(F)=CC1F
InChIInChI=1S/C7H8F3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2,5-6H,3,11H2
InChIKeyIUFSQSKIQUELCS-UHFFFAOYSA-N
MW163.14 g/mol
LogP1.62
Rot. Bonds1

About (2,4,6-trifluorocyclohexa-2,4-dien-1-yl)methanamine

(2,4,6-trifluorocyclohexa-2,4-dien-1-yl)methanamine (PubChem CID 138599694) has the molecular formula C7H8F3N and a molecular weight of 163.14 g/mol. Its IUPAC name is (2,4,6-trifluorocyclohexa-2,4-dien-1-yl)methanamine.

Molecular Properties

Compound Name(2,4,6-trifluorocyclohexa-2,4-dien-1-yl)methanamine
PubChem CID138599694
Molecular FormulaC7H8F3N
Molecular Weight163.14 g/mol
Exact Mass163.06
IUPAC Name(2,4,6-trifluorocyclohexa-2,4-dien-1-yl)methanamine
SMILESNCC1C(F)=CC(F)=CC1F
InChIInChI=1S/C7H8F3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2,5-6H,3,11H2
InChIKeyIUFSQSKIQUELCS-UHFFFAOYSA-N
XLogP1.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.14
LogP ≤ 51.62
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-2,4-dien-1-yl)methanamine?
The IUPAC name of (2,4,6-trifluorocyclohexa-2,4-dien-1-yl)methanamine (CID 138599694) is (2,4,6-trifluorocyclohexa-2,4-dien-1-yl)methanamine.
What is the SMILES notation for (2,4,6-trifluorocyclohexa-2,4-dien-1-yl)methanamine?
The canonical SMILES for (2,4,6-trifluorocyclohexa-2,4-dien-1-yl)methanamine is NCC1C(F)=CC(F)=CC1F.
What is the InChIKey of (2,4,6-trifluorocyclohexa-2,4-dien-1-yl)methanamine?
The InChIKey is IUFSQSKIQUELCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2,5-6H,3,11H2.
What are the key properties of (2,4,6-trifluorocyclohexa-2,4-dien-1-yl)methanamine?
(2,4,6-trifluorocyclohexa-2,4-dien-1-yl)methanamine has a molecular weight of 163.14 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trifluorocyclohexa-2,4-dien-1-yl)methanamine is sourced from PubChem (CID 138599694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).