(3S)-6-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine

C8H12FN — CID 67991642

IUPAC(3S)-6-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine
SMILESCNC1=C[C@@H](C)CC=C1F
InChIInChI=1S/C8H12FN/c1-6-3-4-7(9)8(5-6)10-2/h4-6,10H,3H2,1-2H3/t6-/m0/s1
InChIKeyIVHIESYRDOJANR-LURJTMIESA-N
MW141.19 g/mol
LogP1.98
Rot. Bonds1

About (3S)-6-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine

(3S)-6-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine (PubChem CID 67991642) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (3S)-6-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(3S)-6-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine
PubChem CID67991642
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(3S)-6-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine
SMILESCNC1=C[C@@H](C)CC=C1F
InChIInChI=1S/C8H12FN/c1-6-3-4-7(9)8(5-6)10-2/h4-6,10H,3H2,1-2H3/t6-/m0/s1
InChIKeyIVHIESYRDOJANR-LURJTMIESA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of (3S)-6-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine (CID 67991642) is (3S)-6-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for (3S)-6-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for (3S)-6-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine is CNC1=C[C@@H](C)CC=C1F.
What is the InChIKey of (3S)-6-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is IVHIESYRDOJANR-LURJTMIESA-N. The full InChI is InChI=1S/C8H12FN/c1-6-3-4-7(9)8(5-6)10-2/h4-6,10H,3H2,1-2H3/t6-/m0/s1.
What are the key properties of (3S)-6-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine?
(3S)-6-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine has a molecular weight of 141.19 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-fluoro-N,3-dimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 67991642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).