1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene

C15H23F — CID 21304853

IUPAC1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene
SMILESCCCCC(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C15H23F/c1-5-6-7-14(15(2,3)4)12-8-10-13(16)11-9-12/h8-11,14H,5-7H2,1-4H3
InChIKeyUTQJQCXEFDGQAH-UHFFFAOYSA-N
MW222.35 g/mol
LogP5.15
Rot. Bonds4

About 1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene

1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene (PubChem CID 21304853) has the molecular formula C15H23F and a molecular weight of 222.35 g/mol. Its IUPAC name is 1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene
PubChem CID21304853
Molecular FormulaC15H23F
Molecular Weight222.35 g/mol
Exact Mass222.18
IUPAC Name1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene
SMILESCCCCC(c1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C15H23F/c1-5-6-7-14(15(2,3)4)12-8-10-13(16)11-9-12/h8-11,14H,5-7H2,1-4H3
InChIKeyUTQJQCXEFDGQAH-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.35
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-fluoro-4-(2-methylheptan-3-yl)benzene
CID 57227852
1-fluoro-4-octan-4-ylbenzene
CID 70993007
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916
2-(4-fluorophenyl)hexan-1-amine
CID 79442321
1-fluoro-4-[1-(4-methylphenyl)pentyl]benzene
CID 59102457
1-(1-bromohexan-2-yl)-4-fluorobenzene
CID 79435039
hydroxy-[1,1,2-tris(4-fluorophenyl)hexoxy]borinate;tetramethylazanium
CID 173097118
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]octan-1-amine
CID 43735025
1-(4-fluorophenyl)dodecan-1-ol
CID 65426373
1-(1-bromohexyl)-4-fluorobenzene
CID 63439344
3-(4-fluorophenyl)-4,4-dimethylpentanamide
CID 82080473

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene?
The IUPAC name of 1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene (CID 21304853) is 1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene.
What is the SMILES notation for 1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene?
The canonical SMILES for 1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene is CCCCC(c1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene?
The InChIKey is UTQJQCXEFDGQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F/c1-5-6-7-14(15(2,3)4)12-8-10-13(16)11-9-12/h8-11,14H,5-7H2,1-4H3.
What are the key properties of 1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene?
1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene has a molecular weight of 222.35 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene is sourced from PubChem (CID 21304853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).