2-fluoro-7-methylcyclohepta-1,3,6-trien-1-amine

C8H10FN — CID 131992977

IUPAC2-fluoro-7-methylcyclohepta-1,3,6-trien-1-amine
SMILESCC1=CCC=CC(F)=C1N
InChIInChI=1S/C8H10FN/c1-6-4-2-3-5-7(9)8(6)10/h3-5H,2,10H2,1H3
InChIKeyRAIWORRXNPZMQK-UHFFFAOYSA-N
MW139.17 g/mol
LogP2.03
Rot. Bonds

About 2-fluoro-7-methylcyclohepta-1,3,6-trien-1-amine

2-fluoro-7-methylcyclohepta-1,3,6-trien-1-amine (PubChem CID 131992977) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 2-fluoro-7-methylcyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name2-fluoro-7-methylcyclohepta-1,3,6-trien-1-amine
PubChem CID131992977
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name2-fluoro-7-methylcyclohepta-1,3,6-trien-1-amine
SMILESCC1=CCC=CC(F)=C1N
InChIInChI=1S/C8H10FN/c1-6-4-2-3-5-7(9)8(6)10/h3-5H,2,10H2,1H3
InChIKeyRAIWORRXNPZMQK-UHFFFAOYSA-N
XLogP2.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7-methylcyclohepta-1,3,6-trien-1-amine?
The IUPAC name of 2-fluoro-7-methylcyclohepta-1,3,6-trien-1-amine (CID 131992977) is 2-fluoro-7-methylcyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for 2-fluoro-7-methylcyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for 2-fluoro-7-methylcyclohepta-1,3,6-trien-1-amine is CC1=CCC=CC(F)=C1N.
What is the InChIKey of 2-fluoro-7-methylcyclohepta-1,3,6-trien-1-amine?
The InChIKey is RAIWORRXNPZMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c1-6-4-2-3-5-7(9)8(6)10/h3-5H,2,10H2,1H3.
What are the key properties of 2-fluoro-7-methylcyclohepta-1,3,6-trien-1-amine?
2-fluoro-7-methylcyclohepta-1,3,6-trien-1-amine has a molecular weight of 139.17 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-methylcyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 131992977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).