6-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyridine

C12H14FN — CID 146351401

IUPAC6-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyridine
SMILESCC1=CC(F)=C(C2=CC=CCN2)CC1
InChIInChI=1S/C12H14FN/c1-9-5-6-10(11(13)8-9)12-4-2-3-7-14-12/h2-4,8,14H,5-7H2,1H3
InChIKeyHCXPMMQZGQYRPZ-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.99
Rot. Bonds1

About 6-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyridine

6-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyridine (PubChem CID 146351401) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 6-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name6-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyridine
PubChem CID146351401
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name6-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyridine
SMILESCC1=CC(F)=C(C2=CC=CCN2)CC1
InChIInChI=1S/C12H14FN/c1-9-5-6-10(11(13)8-9)12-4-2-3-7-14-12/h2-4,8,14H,5-7H2,1H3
InChIKeyHCXPMMQZGQYRPZ-UHFFFAOYSA-N
XLogP2.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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5,6,7-Tetrahydroindole
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8-Hexahydroquinoline
CID 20226183
1,2,3,5-Tetrahydroquinoline
CID 20349835
1,2,3,4,5,6-Hexahydroisoquinoline
CID 22152420
1,2,5,6,7,8-Hexahydroquinoline
CID 53784000
Benz[ed]indolin
CID 129647852
7,8-Hexahydro-2-quinolone
CID 129792648
6-fluoro-2,6-dimethyl-2,3,5,7-tetrahydro-1H-quinoline
CID 54444424
5-ethyl-5-fluoro-N-methylcyclohexa-1,3-dien-1-amine
CID 70492008
(3E,6Z)-3-ethylidene-4-methylidene-5-propan-2-ylidene-N-(2,2,2-trifluoroethyl)nona-1,6,8-trien-2-amine
CID 88278299
1-fluoro-4H-cyclohepta[f]quinoline
CID 88365572

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyridine?
The IUPAC name of 6-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyridine (CID 146351401) is 6-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyridine.
What is the SMILES notation for 6-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyridine?
The canonical SMILES for 6-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyridine is CC1=CC(F)=C(C2=CC=CCN2)CC1.
What is the InChIKey of 6-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyridine?
The InChIKey is HCXPMMQZGQYRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c1-9-5-6-10(11(13)8-9)12-4-2-3-7-14-12/h2-4,8,14H,5-7H2,1H3.
What are the key properties of 6-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyridine?
6-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyridine has a molecular weight of 191.25 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1,2-dihydropyridine is sourced from PubChem (CID 146351401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).