3-fluoro-4-[(2S)-hexan-2-yl]-1,2-dihydronaphthalene

C16H21F — CID 135031954

IUPAC3-fluoro-4-[(2S)-hexan-2-yl]-1,2-dihydronaphthalene
SMILESCCCC[C@H](C)C1=C(F)CCc2ccccc21
InChIInChI=1S/C16H21F/c1-3-4-7-12(2)16-14-9-6-5-8-13(14)10-11-15(16)17/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3/t12-/m0/s1
InChIKeyOVHXBASGIDTSHM-LBPRGKRZSA-N
MW232.34 g/mol
LogP5.14
Rot. Bonds4

About 3-fluoro-4-[(2S)-hexan-2-yl]-1,2-dihydronaphthalene

3-fluoro-4-[(2S)-hexan-2-yl]-1,2-dihydronaphthalene (PubChem CID 135031954) has the molecular formula C16H21F and a molecular weight of 232.34 g/mol. Its IUPAC name is 3-fluoro-4-[(2S)-hexan-2-yl]-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-fluoro-4-[(2S)-hexan-2-yl]-1,2-dihydronaphthalene
PubChem CID135031954
Molecular FormulaC16H21F
Molecular Weight232.34 g/mol
Exact Mass232.16
IUPAC Name3-fluoro-4-[(2S)-hexan-2-yl]-1,2-dihydronaphthalene
SMILESCCCC[C@H](C)C1=C(F)CCc2ccccc21
InChIInChI=1S/C16H21F/c1-3-4-7-12(2)16-14-9-6-5-8-13(14)10-11-15(16)17/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3/t12-/m0/s1
InChIKeyOVHXBASGIDTSHM-LBPRGKRZSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.34
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-fluoro-4-[(2S)-hexan-2-yl]-1,2-dihydronaphthalene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2S)-hexan-2-yl]-1,2-dihydronaphthalene?
The IUPAC name of 3-fluoro-4-[(2S)-hexan-2-yl]-1,2-dihydronaphthalene (CID 135031954) is 3-fluoro-4-[(2S)-hexan-2-yl]-1,2-dihydronaphthalene.
What is the SMILES notation for 3-fluoro-4-[(2S)-hexan-2-yl]-1,2-dihydronaphthalene?
The canonical SMILES for 3-fluoro-4-[(2S)-hexan-2-yl]-1,2-dihydronaphthalene is CCCC[C@H](C)C1=C(F)CCc2ccccc21.
What is the InChIKey of 3-fluoro-4-[(2S)-hexan-2-yl]-1,2-dihydronaphthalene?
The InChIKey is OVHXBASGIDTSHM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21F/c1-3-4-7-12(2)16-14-9-6-5-8-13(14)10-11-15(16)17/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 3-fluoro-4-[(2S)-hexan-2-yl]-1,2-dihydronaphthalene?
3-fluoro-4-[(2S)-hexan-2-yl]-1,2-dihydronaphthalene has a molecular weight of 232.34 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2S)-hexan-2-yl]-1,2-dihydronaphthalene is sourced from PubChem (CID 135031954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).