3-fluorocyclohepta-1,3,6-trien-1-amine

C7H8FN — CID 143312681

IUPAC3-fluorocyclohepta-1,3,6-trien-1-amine
SMILESNC1=CC(F)=CCC=C1
InChIInChI=1S/C7H8FN/c8-6-3-1-2-4-7(9)5-6/h2-5H,1,9H2
InChIKeyBQTOXOHYYOJXCU-UHFFFAOYSA-N
MW125.15 g/mol
LogP1.64
Rot. Bonds

About 3-fluorocyclohepta-1,3,6-trien-1-amine

3-fluorocyclohepta-1,3,6-trien-1-amine (PubChem CID 143312681) has the molecular formula C7H8FN and a molecular weight of 125.15 g/mol. Its IUPAC name is 3-fluorocyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound Name3-fluorocyclohepta-1,3,6-trien-1-amine
PubChem CID143312681
Molecular FormulaC7H8FN
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name3-fluorocyclohepta-1,3,6-trien-1-amine
SMILESNC1=CC(F)=CCC=C1
InChIInChI=1S/C7H8FN/c8-6-3-1-2-4-7(9)5-6/h2-5H,1,9H2
InChIKeyBQTOXOHYYOJXCU-UHFFFAOYSA-N
XLogP1.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclopenta-1,4-dien-1-amine
CID 12966521
1,5-Cyclohexadienylamine
CID 20196055
2-Propylidene allyl amine
CID 129776872
2-Fluoro-5-methylcyclohepta-1,3,6-trien-1-amine
CID 68229473
4-Fluorocyclohexa-1,5-dien-1-amine
CID 68342081
5-Fluorocyclohexa-1,5-dien-1-amine
CID 68342260
5-Fluorocyclohexa-1,3-dien-1-amine
CID 70328409
(3E,5E)-5-fluoroocta-3,5,7-trien-3-amine
CID 88905364
(2E,4E)-2-fluorohepta-2,4-dien-4-amine
CID 88953573
(3E,5Z)-7-fluorohepta-1,3,5-trien-4-amine
CID 89074081
(3E)-6,7-difluorohepta-1,3-dien-3-amine
CID 89074111
3-(Trifluoromethyl)cyclohepta-1,4,6-trien-1-amine
CID 89122883

Frequently Asked Questions

What is the IUPAC name of 3-fluorocyclohepta-1,3,6-trien-1-amine?
The IUPAC name of 3-fluorocyclohepta-1,3,6-trien-1-amine (CID 143312681) is 3-fluorocyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for 3-fluorocyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for 3-fluorocyclohepta-1,3,6-trien-1-amine is NC1=CC(F)=CCC=C1.
What is the InChIKey of 3-fluorocyclohepta-1,3,6-trien-1-amine?
The InChIKey is BQTOXOHYYOJXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN/c8-6-3-1-2-4-7(9)5-6/h2-5H,1,9H2.
What are the key properties of 3-fluorocyclohepta-1,3,6-trien-1-amine?
3-fluorocyclohepta-1,3,6-trien-1-amine has a molecular weight of 125.15 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorocyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 143312681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).