2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine

C8H10FN — CID 143169128

IUPAC2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine
SMILESCC1=CC(F)=C(N)C=CC1
InChIInChI=1S/C8H10FN/c1-6-3-2-4-8(10)7(9)5-6/h2,4-5H,3,10H2,1H3
InChIKeyNUMWOPOEBHZWSF-UHFFFAOYSA-N
MW139.17 g/mol
LogP2.03
Rot. Bonds

About 2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine

2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine (PubChem CID 143169128) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine
PubChem CID143169128
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine
SMILESCC1=CC(F)=C(N)C=CC1
InChIInChI=1S/C8H10FN/c1-6-3-2-4-8(10)7(9)5-6/h2,4-5H,3,10H2,1H3
InChIKeyNUMWOPOEBHZWSF-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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Related Compounds

Benzo[7]annulen-7-amine
CID 19915662
2-Fluoro-5-methylcyclohepta-1,3,6-trien-1-amine
CID 68229473
5-Fluoro-2-methylcyclohexa-1,3-dien-1-amine
CID 68244865
(3E,5Z)-2-fluoro-5-methylhepta-1,3,5-trien-4-amine
CID 88575399
(3E,5E)-5-fluoroocta-3,5,7-trien-3-amine
CID 88905364
(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073720
4-Fluorocyclohepta-1,3,6-trien-1-amine
CID 89134403
(2Z,4E)-5-methyl-4-(trifluoromethyl)hepta-2,4,6-trien-2-amine
CID 89140162
(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine
CID 89153760
(1Z)-1-[(6Z)-4-fluoro-6-(2-methylidenebutylidene)cyclohexa-2,4-dien-1-ylidene]-2-methylpropan-1-amine
CID 89202280
(3E,5Z)-4-(difluoromethyl)-5-ethylocta-3,5,7-trien-3-amine
CID 89205391
(3E,5Z)-4-(difluoromethyl)octa-3,5,7-trien-3-amine
CID 89205392

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine?
The IUPAC name of 2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine (CID 143169128) is 2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for 2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for 2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine is CC1=CC(F)=C(N)C=CC1.
What is the InChIKey of 2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine?
The InChIKey is NUMWOPOEBHZWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c1-6-3-2-4-8(10)7(9)5-6/h2,4-5H,3,10H2,1H3.
What are the key properties of 2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine?
2-fluoro-4-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-4-methylcyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 143169128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).