2-fluoro-4-hexan-3-yloxy-1-methylcyclohexa-1,3-diene

C13H21FO — CID 142490374

IUPAC2-fluoro-4-hexan-3-yloxy-1-methylcyclohexa-1,3-diene
SMILESCCCC(CC)OC1=CC(F)=C(C)CC1
InChIInChI=1S/C13H21FO/c1-4-6-11(5-2)15-12-8-7-10(3)13(14)9-12/h9,11H,4-8H2,1-3H3
InChIKeyRAGJDVJKDPLGOQ-UHFFFAOYSA-N
MW212.31 g/mol
LogP4.50
Rot. Bonds5

About 2-fluoro-4-hexan-3-yloxy-1-methylcyclohexa-1,3-diene

2-fluoro-4-hexan-3-yloxy-1-methylcyclohexa-1,3-diene (PubChem CID 142490374) has the molecular formula C13H21FO and a molecular weight of 212.31 g/mol. Its IUPAC name is 2-fluoro-4-hexan-3-yloxy-1-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-fluoro-4-hexan-3-yloxy-1-methylcyclohexa-1,3-diene
PubChem CID142490374
Molecular FormulaC13H21FO
Molecular Weight212.31 g/mol
Exact Mass212.16
IUPAC Name2-fluoro-4-hexan-3-yloxy-1-methylcyclohexa-1,3-diene
SMILESCCCC(CC)OC1=CC(F)=C(C)CC1
InChIInChI=1S/C13H21FO/c1-4-6-11(5-2)15-12-8-7-10(3)13(14)9-12/h9,11H,4-8H2,1-3H3
InChIKeyRAGJDVJKDPLGOQ-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methoxy-4-(2-methoxyethyl)cyclohexa-1,3-diene
CID 12642148
6-(fluoromethyl)-5-[(E)-2-fluoro-3-methylbut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070305
5-[(E)-2-fluorobut-1-enyl]-6-(fluoromethyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070308
5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070349
(7R)-7-fluoro-6-methyl-3,4,7,8-tetrahydro-2H-chromene
CID 89011976
(7R)-6-ethyl-7-fluoro-3,4,7,8-tetrahydro-2H-chromene
CID 89189819
5-[(E)-2-fluoroprop-1-enyl]-3-methyl-6-propyl-3,4-dihydro-2H-pyran
CID 89247335
5-ethenyl-6-(3-fluoro-2-methylpropyl)-3-methyl-3,4-dihydro-2H-pyran
CID 89247355
6-ethyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247358
5-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]-3,6-dimethyl-3,4-dihydro-2H-pyran
CID 89247369
6-(fluoromethyl)-5-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247373
6-butan-2-yl-5-[(E)-2-fluoroethenyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247383

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-hexan-3-yloxy-1-methylcyclohexa-1,3-diene?
The IUPAC name of 2-fluoro-4-hexan-3-yloxy-1-methylcyclohexa-1,3-diene (CID 142490374) is 2-fluoro-4-hexan-3-yloxy-1-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2-fluoro-4-hexan-3-yloxy-1-methylcyclohexa-1,3-diene?
The canonical SMILES for 2-fluoro-4-hexan-3-yloxy-1-methylcyclohexa-1,3-diene is CCCC(CC)OC1=CC(F)=C(C)CC1.
What is the InChIKey of 2-fluoro-4-hexan-3-yloxy-1-methylcyclohexa-1,3-diene?
The InChIKey is RAGJDVJKDPLGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FO/c1-4-6-11(5-2)15-12-8-7-10(3)13(14)9-12/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-fluoro-4-hexan-3-yloxy-1-methylcyclohexa-1,3-diene?
2-fluoro-4-hexan-3-yloxy-1-methylcyclohexa-1,3-diene has a molecular weight of 212.31 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-hexan-3-yloxy-1-methylcyclohexa-1,3-diene is sourced from PubChem (CID 142490374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).