2-fluoro-1-(2-methylpropyl)-3-pentylbenzene

C15H23F — CID 173291771

IUPAC2-fluoro-1-(2-methylpropyl)-3-pentylbenzene
SMILESCCCCCc1cccc(CC(C)C)c1F
InChIInChI=1S/C15H23F/c1-4-5-6-8-13-9-7-10-14(15(13)16)11-12(2)3/h7,9-10,12H,4-6,8,11H2,1-3H3
InChIKeyVFKCAUHAKVOTIZ-UHFFFAOYSA-N
MW222.35 g/mol
LogP4.76
Rot. Bonds6

About 2-fluoro-1-(2-methylpropyl)-3-pentylbenzene

2-fluoro-1-(2-methylpropyl)-3-pentylbenzene (PubChem CID 173291771) has the molecular formula C15H23F and a molecular weight of 222.35 g/mol. Its IUPAC name is 2-fluoro-1-(2-methylpropyl)-3-pentylbenzene.

Molecular Properties

Compound Name2-fluoro-1-(2-methylpropyl)-3-pentylbenzene
PubChem CID173291771
Molecular FormulaC15H23F
Molecular Weight222.35 g/mol
Exact Mass222.18
IUPAC Name2-fluoro-1-(2-methylpropyl)-3-pentylbenzene
SMILESCCCCCc1cccc(CC(C)C)c1F
InChIInChI=1S/C15H23F/c1-4-5-6-8-13-9-7-10-14(15(13)16)11-12(2)3/h7,9-10,12H,4-6,8,11H2,1-3H3
InChIKeyVFKCAUHAKVOTIZ-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 54.76
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

2-(2-fluoro-3-pentylphenyl)acetic acid
CID 78325101
1-(2-fluoro-3-pentylphenyl)-2-methylpropan-1-ol
CID 173291689
1-bromo-2-fluoro-3-octylbenzene
CID 155052803
2-decyl-3-(2-methylpropyl)phenol
CID 159869445
1-(2-fluoro-6-pentylphenyl)-2-methylpropan-1-ol
CID 23213545
2-(2-methylpropyl)-1-[2-[2-(2-methylpropyl)-4-pentyl-1H-inden-1-yl]propan-2-yl]-4-pentyl-1H-indene
CID 139962811
1-fluoro-2-heptylbenzene
CID 20721019
1,2-di(undecyl)benzene
CID 3019479
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(2-methylpropyl)-3-pentylbenzene?
The IUPAC name of 2-fluoro-1-(2-methylpropyl)-3-pentylbenzene (CID 173291771) is 2-fluoro-1-(2-methylpropyl)-3-pentylbenzene.
What is the SMILES notation for 2-fluoro-1-(2-methylpropyl)-3-pentylbenzene?
The canonical SMILES for 2-fluoro-1-(2-methylpropyl)-3-pentylbenzene is CCCCCc1cccc(CC(C)C)c1F.
What is the InChIKey of 2-fluoro-1-(2-methylpropyl)-3-pentylbenzene?
The InChIKey is VFKCAUHAKVOTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F/c1-4-5-6-8-13-9-7-10-14(15(13)16)11-12(2)3/h7,9-10,12H,4-6,8,11H2,1-3H3.
What are the key properties of 2-fluoro-1-(2-methylpropyl)-3-pentylbenzene?
2-fluoro-1-(2-methylpropyl)-3-pentylbenzene has a molecular weight of 222.35 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(2-methylpropyl)-3-pentylbenzene is sourced from PubChem (CID 173291771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).