4-[(4R)-2-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-1,2-dihydropyridine

C12H14FN — CID 118657074

IUPAC4-[(4R)-2-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-1,2-dihydropyridine
SMILESC[C@H]1C=CC(C2=CCNC=C2)=C(F)C1
InChIInChI=1S/C12H14FN/c1-9-2-3-11(12(13)8-9)10-4-6-14-7-5-10/h2-6,9,14H,7-8H2,1H3/t9-/m0/s1
InChIKeyTXFOEGPAETZXNG-VIFPVBQESA-N
MW191.25 g/mol
LogP2.85
Rot. Bonds1

About 4-[(4R)-2-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-1,2-dihydropyridine

4-[(4R)-2-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-1,2-dihydropyridine (PubChem CID 118657074) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 4-[(4R)-2-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-1,2-dihydropyridine.

Molecular Properties

Compound Name4-[(4R)-2-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-1,2-dihydropyridine
PubChem CID118657074
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name4-[(4R)-2-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-1,2-dihydropyridine
SMILESC[C@H]1C=CC(C2=CCNC=C2)=C(F)C1
InChIInChI=1S/C12H14FN/c1-9-2-3-11(12(13)8-9)10-4-6-14-7-5-10/h2-6,9,14H,7-8H2,1H3/t9-/m0/s1
InChIKeyTXFOEGPAETZXNG-VIFPVBQESA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Dihydroisoquinoline
CID 4961379
2-fluoro-2,3-dimethyl-1H-pyridine
CID 22615259
2-Fluoro-4-methyl-1,2-dihydropyridine
CID 89245132
4-Fluoro-5-methyl-1,2-dihydropyridine
CID 117732619
4-Ethyl-2-fluoro-1,2-dihydropyridine
CID 118478905
(2R)-2-fluoro-4-methyl-1,2-dihydropyridine
CID 118478982
(2Z,4E)-4-fluoro-6-methyl-N-(3-methylpent-1-enyl)octa-2,4-dien-1-amine
CID 126583190
6-Fluoro-5-methyl-1,2-dihydropyridine
CID 129090162
(2E,4Z)-2-fluoro-N-methyl-4-propan-2-ylhepta-2,4,6-trien-1-amine
CID 129146420
5-(difluoromethyl)-N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine
CID 130321083
2-Fluoro-6-methyl-4-propan-2-yl-1,2-dihydropyridine
CID 134243659
(2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine
CID 134533169

Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-2-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-1,2-dihydropyridine?
The IUPAC name of 4-[(4R)-2-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-1,2-dihydropyridine (CID 118657074) is 4-[(4R)-2-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-1,2-dihydropyridine.
What is the SMILES notation for 4-[(4R)-2-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-1,2-dihydropyridine?
The canonical SMILES for 4-[(4R)-2-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-1,2-dihydropyridine is C[C@H]1C=CC(C2=CCNC=C2)=C(F)C1.
What is the InChIKey of 4-[(4R)-2-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-1,2-dihydropyridine?
The InChIKey is TXFOEGPAETZXNG-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14FN/c1-9-2-3-11(12(13)8-9)10-4-6-14-7-5-10/h2-6,9,14H,7-8H2,1H3/t9-/m0/s1.
What are the key properties of 4-[(4R)-2-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-1,2-dihydropyridine?
4-[(4R)-2-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-1,2-dihydropyridine has a molecular weight of 191.25 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-2-fluoro-4-methylcyclohexa-1,5-dien-1-yl]-1,2-dihydropyridine is sourced from PubChem (CID 118657074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).