4-fluoro-2-(2-fluoro-5-methylphenyl)-1-methylcyclohexa-1,3-dien-5-yne

C14H10F2 — CID 155425343

IUPAC4-fluoro-2-(2-fluoro-5-methylphenyl)-1-methylcyclohexa-1,3-dien-5-yne
SMILESCc1ccc(F)c(-c2cc(F)c#cc2C)c1
InChIInChI=1S/C14H10F2/c1-9-3-6-14(16)13(7-9)12-8-11(15)5-4-10(12)2/h3,6-8H,1-2H3
InChIKeyJXRWPEVVRQVYSL-UHFFFAOYSA-N
MW216.23 g/mol
LogP3.85
Rot. Bonds1

About 4-fluoro-2-(2-fluoro-5-methylphenyl)-1-methylcyclohexa-1,3-dien-5-yne

4-fluoro-2-(2-fluoro-5-methylphenyl)-1-methylcyclohexa-1,3-dien-5-yne (PubChem CID 155425343) has the molecular formula C14H10F2 and a molecular weight of 216.23 g/mol. Its IUPAC name is 4-fluoro-2-(2-fluoro-5-methylphenyl)-1-methylcyclohexa-1,3-dien-5-yne.

Molecular Properties

Compound Name4-fluoro-2-(2-fluoro-5-methylphenyl)-1-methylcyclohexa-1,3-dien-5-yne
PubChem CID155425343
Molecular FormulaC14H10F2
Molecular Weight216.23 g/mol
Exact Mass216.08
IUPAC Name4-fluoro-2-(2-fluoro-5-methylphenyl)-1-methylcyclohexa-1,3-dien-5-yne
SMILESCc1ccc(F)c(-c2cc(F)c#cc2C)c1
InChIInChI=1S/C14H10F2/c1-9-3-6-14(16)13(7-9)12-8-11(15)5-4-10(12)2/h3,6-8H,1-2H3
InChIKeyJXRWPEVVRQVYSL-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1,3-bis(2-fluoro-5-methylphenyl)-5-methylbenzene
CID 13230580
1,2,3,4,5-pentafluoro-6-(2-fluoro-5-methylphenyl)benzene
CID 134617358
1-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzene
CID 169173470
2-(2-fluoro-5-methylphenyl)-4-methylbenzonitrile
CID 172915416
2-(2,5-difluorophenyl)-4-methylphenol
CID 83129807
2-(2-bromophenyl)-1-fluoro-4-methylbenzene
CID 90775083
4-(2-fluoro-5-methylphenyl)pyridine
CID 46317281
1-fluoro-2-(3-fluorophenyl)-4-methylbenzene
CID 46313949
3-(2,5-dimethylphenyl)-4-fluorobenzaldehyde
CID 61033101
2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile
CID 114898449
3-(2-fluoro-5-methylphenyl)pyridine-2-carboxylic acid
CID 53222818
3-(2,4-dimethylphenyl)-4-fluoroaniline
CID 104781174

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-fluoro-5-methylphenyl)-1-methylcyclohexa-1,3-dien-5-yne?
The IUPAC name of 4-fluoro-2-(2-fluoro-5-methylphenyl)-1-methylcyclohexa-1,3-dien-5-yne (CID 155425343) is 4-fluoro-2-(2-fluoro-5-methylphenyl)-1-methylcyclohexa-1,3-dien-5-yne.
What is the SMILES notation for 4-fluoro-2-(2-fluoro-5-methylphenyl)-1-methylcyclohexa-1,3-dien-5-yne?
The canonical SMILES for 4-fluoro-2-(2-fluoro-5-methylphenyl)-1-methylcyclohexa-1,3-dien-5-yne is Cc1ccc(F)c(-c2cc(F)c#cc2C)c1.
What is the InChIKey of 4-fluoro-2-(2-fluoro-5-methylphenyl)-1-methylcyclohexa-1,3-dien-5-yne?
The InChIKey is JXRWPEVVRQVYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2/c1-9-3-6-14(16)13(7-9)12-8-11(15)5-4-10(12)2/h3,6-8H,1-2H3.
What are the key properties of 4-fluoro-2-(2-fluoro-5-methylphenyl)-1-methylcyclohexa-1,3-dien-5-yne?
4-fluoro-2-(2-fluoro-5-methylphenyl)-1-methylcyclohexa-1,3-dien-5-yne has a molecular weight of 216.23 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-fluoro-5-methylphenyl)-1-methylcyclohexa-1,3-dien-5-yne is sourced from PubChem (CID 155425343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).