1-fluoro-2-(2-methyloctan-2-yl)benzene

C15H23F — CID 155122993

IUPAC1-fluoro-2-(2-methyloctan-2-yl)benzene
SMILESCCCCCCC(C)(C)c1ccccc1F
InChIInChI=1S/C15H23F/c1-4-5-6-9-12-15(2,3)13-10-7-8-11-14(13)16/h7-8,10-11H,4-6,9,12H2,1-3H3
InChIKeyJUAMOIQMPKTXEX-UHFFFAOYSA-N
MW222.35 g/mol
LogP5.07
Rot. Bonds6

About 1-fluoro-2-(2-methyloctan-2-yl)benzene

1-fluoro-2-(2-methyloctan-2-yl)benzene (PubChem CID 155122993) has the molecular formula C15H23F and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-fluoro-2-(2-methyloctan-2-yl)benzene.

Molecular Properties

Compound Name1-fluoro-2-(2-methyloctan-2-yl)benzene
PubChem CID155122993
Molecular FormulaC15H23F
Molecular Weight222.35 g/mol
Exact Mass222.18
IUPAC Name1-fluoro-2-(2-methyloctan-2-yl)benzene
SMILESCCCCCCC(C)(C)c1ccccc1F
InChIInChI=1S/C15H23F/c1-4-5-6-9-12-15(2,3)13-10-7-8-11-14(13)16/h7-8,10-11H,4-6,9,12H2,1-3H3
InChIKeyJUAMOIQMPKTXEX-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.35
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 65144891
1-methyl-2-(2-methylnonan-2-yl)benzene
CID 173398829
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CID 87300429
2-(2-methyltetradecan-2-yl)aniline
CID 46835335
1-methoxy-2-(2-methylundecan-2-yl)benzene
CID 56625929
2-(2-fluorophenyl)-2-pentylpropane-1,3-diol
CID 79447348
2-(2,3-difluorophenyl)octan-2-ol
CID 114059370
3,6-bis(2-methylheptan-2-yl)benzene-1,2-diol
CID 54503359
2,4-difluoro-1-(2-methylhexan-2-yl)benzene
CID 166973409
1,2-dimethyl-3-(2-methylheptan-2-yl)benzene
CID 175950206
1,2-difluoro-4-(2-methyloctan-2-yl)benzene
CID 146181426
1-(2-fluorophenyl)-2-methyldecan-2-amine
CID 114833515

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(2-methyloctan-2-yl)benzene?
The IUPAC name of 1-fluoro-2-(2-methyloctan-2-yl)benzene (CID 155122993) is 1-fluoro-2-(2-methyloctan-2-yl)benzene.
What is the SMILES notation for 1-fluoro-2-(2-methyloctan-2-yl)benzene?
The canonical SMILES for 1-fluoro-2-(2-methyloctan-2-yl)benzene is CCCCCCC(C)(C)c1ccccc1F.
What is the InChIKey of 1-fluoro-2-(2-methyloctan-2-yl)benzene?
The InChIKey is JUAMOIQMPKTXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F/c1-4-5-6-9-12-15(2,3)13-10-7-8-11-14(13)16/h7-8,10-11H,4-6,9,12H2,1-3H3.
What are the key properties of 1-fluoro-2-(2-methyloctan-2-yl)benzene?
1-fluoro-2-(2-methyloctan-2-yl)benzene has a molecular weight of 222.35 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(2-methyloctan-2-yl)benzene is sourced from PubChem (CID 155122993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).