(6-fluorocyclohexa-1,3,4-trien-1-yl)methanamine

C7H8FN — CID 88561653

IUPAC(6-fluorocyclohexa-1,3,4-trien-1-yl)methanamine
SMILESNCC1=CC=C=CC1F
InChIInChI=1S/C7H8FN/c8-7-4-2-1-3-6(7)5-9/h1,3-4,7H,5,9H2
InChIKeyDZHCOXVFUVOWNF-UHFFFAOYSA-N
MW125.15 g/mol
LogP0.93
Rot. Bonds1

About (6-fluorocyclohexa-1,3,4-trien-1-yl)methanamine

(6-fluorocyclohexa-1,3,4-trien-1-yl)methanamine (PubChem CID 88561653) has the molecular formula C7H8FN and a molecular weight of 125.15 g/mol. Its IUPAC name is (6-fluorocyclohexa-1,3,4-trien-1-yl)methanamine.

Molecular Properties

Compound Name(6-fluorocyclohexa-1,3,4-trien-1-yl)methanamine
PubChem CID88561653
Molecular FormulaC7H8FN
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name(6-fluorocyclohexa-1,3,4-trien-1-yl)methanamine
SMILESNCC1=CC=C=CC1F
InChIInChI=1S/C7H8FN/c8-7-4-2-1-3-6(7)5-9/h1,3-4,7H,5,9H2
InChIKeyDZHCOXVFUVOWNF-UHFFFAOYSA-N
XLogP0.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexa-1,4-dien-1-ylmethanamine
CID 21442526
3,4-Dihydrobenzylamine
CID 21950499
3-Fluoro-4-methylcyclohexa-2,4-dien-1-amine
CID 67710936
(4-Fluorocyclohexa-2,4-dien-1-yl)methanamine
CID 68240582
2-(4-Fluorocyclohexa-1,3-dien-1-yl)ethanamine
CID 68342135
2-Fluoro-5-methylcyclohexa-2,4-dien-1-amine
CID 68390722
(1,4-Difluorocyclohexa-2,4-dien-1-yl)methanamine
CID 69051450
4-Fluoro-4-fluorobenzylamine
CID 70144286
(3-Chloro-4-fluorocyclohexa-1,3-dien-1-yl)methanamine
CID 70310852
(3,4-Difluorocyclohexa-1,5-dien-1-yl)methanamine
CID 70311731
(E)-4-fluoro-2-methylidenehex-3-en-1-amine
CID 88557724
(Z)-5-fluoro-2-methylidenehept-3-en-1-amine
CID 89090828

Frequently Asked Questions

What is the IUPAC name of (6-fluorocyclohexa-1,3,4-trien-1-yl)methanamine?
The IUPAC name of (6-fluorocyclohexa-1,3,4-trien-1-yl)methanamine (CID 88561653) is (6-fluorocyclohexa-1,3,4-trien-1-yl)methanamine.
What is the SMILES notation for (6-fluorocyclohexa-1,3,4-trien-1-yl)methanamine?
The canonical SMILES for (6-fluorocyclohexa-1,3,4-trien-1-yl)methanamine is NCC1=CC=C=CC1F.
What is the InChIKey of (6-fluorocyclohexa-1,3,4-trien-1-yl)methanamine?
The InChIKey is DZHCOXVFUVOWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN/c8-7-4-2-1-3-6(7)5-9/h1,3-4,7H,5,9H2.
What are the key properties of (6-fluorocyclohexa-1,3,4-trien-1-yl)methanamine?
(6-fluorocyclohexa-1,3,4-trien-1-yl)methanamine has a molecular weight of 125.15 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluorocyclohexa-1,3,4-trien-1-yl)methanamine is sourced from PubChem (CID 88561653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).