1-fluoro-4-(2-methylheptan-3-yl)benzene

C14H21F — CID 57227852

IUPAC1-fluoro-4-(2-methylheptan-3-yl)benzene
SMILESCCCCC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C14H21F/c1-4-5-6-14(11(2)3)12-7-9-13(15)10-8-12/h7-11,14H,4-6H2,1-3H3
InChIKeyZBYITSSBVAYEGV-UHFFFAOYSA-N
MW208.32 g/mol
LogP4.76
Rot. Bonds5

About 1-fluoro-4-(2-methylheptan-3-yl)benzene

1-fluoro-4-(2-methylheptan-3-yl)benzene (PubChem CID 57227852) has the molecular formula C14H21F and a molecular weight of 208.32 g/mol. Its IUPAC name is 1-fluoro-4-(2-methylheptan-3-yl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(2-methylheptan-3-yl)benzene
PubChem CID57227852
Molecular FormulaC14H21F
Molecular Weight208.32 g/mol
Exact Mass208.16
IUPAC Name1-fluoro-4-(2-methylheptan-3-yl)benzene
SMILESCCCCC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C14H21F/c1-4-5-6-14(11(2)3)12-7-9-13(15)10-8-12/h7-11,14H,4-6H2,1-3H3
InChIKeyZBYITSSBVAYEGV-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-fluoro-4-(2-methylheptan-3-yl)benzene 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

4-(2-methylheptan-3-yl)phenol
CID 174396505
1-methoxy-4-(2-methylheptan-3-yl)benzene
CID 54213021
1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene
CID 21304853
1-fluoro-4-octan-4-ylbenzene
CID 70993007
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
1-(1-bromo-3-methylbutan-2-yl)-4-fluorobenzene
CID 79018716
1-(1-bromohexyl)-4-fluorobenzene
CID 63439344
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916
1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
1-(1-bromododecyl)-4-fluorobenzene
CID 65427740
2-(4-fluorophenyl)hexan-1-amine
CID 79442321
1-fluoro-4-[1-(4-methylphenyl)pentyl]benzene
CID 59102457

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(2-methylheptan-3-yl)benzene?
The IUPAC name of 1-fluoro-4-(2-methylheptan-3-yl)benzene (CID 57227852) is 1-fluoro-4-(2-methylheptan-3-yl)benzene.
What is the SMILES notation for 1-fluoro-4-(2-methylheptan-3-yl)benzene?
The canonical SMILES for 1-fluoro-4-(2-methylheptan-3-yl)benzene is CCCCC(c1ccc(F)cc1)C(C)C.
What is the InChIKey of 1-fluoro-4-(2-methylheptan-3-yl)benzene?
The InChIKey is ZBYITSSBVAYEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F/c1-4-5-6-14(11(2)3)12-7-9-13(15)10-8-12/h7-11,14H,4-6H2,1-3H3.
What are the key properties of 1-fluoro-4-(2-methylheptan-3-yl)benzene?
1-fluoro-4-(2-methylheptan-3-yl)benzene has a molecular weight of 208.32 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(2-methylheptan-3-yl)benzene is sourced from PubChem (CID 57227852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).