2-[(2R)-4-(3,4-dichlorophenyl)-2-methylbutyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene

C21H23Cl2F — CID 163464299

IUPAC2-[(2R)-4-(3,4-dichlorophenyl)-2-methylbutyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESC[C@H](CCc1ccc(Cl)c(Cl)c1)CC1CCc2ccc(F)cc2C1
InChIInChI=1S/C21H23Cl2F/c1-14(2-3-15-5-9-20(22)21(23)12-15)10-16-4-6-17-7-8-19(24)13-18(17)11-16/h5,7-9,12-14,16H,2-4,6,10-11H2,1H3/t14-,16?/m1/s1
InChIKeyBRFFOXOXOHWDKH-IURRXHLWSA-N
MW365.32 g/mol
LogP6.90
Rot. Bonds5

About 2-[(2R)-4-(3,4-dichlorophenyl)-2-methylbutyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene

2-[(2R)-4-(3,4-dichlorophenyl)-2-methylbutyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene (PubChem CID 163464299) has the molecular formula C21H23Cl2F and a molecular weight of 365.32 g/mol. Its IUPAC name is 2-[(2R)-4-(3,4-dichlorophenyl)-2-methylbutyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-[(2R)-4-(3,4-dichlorophenyl)-2-methylbutyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene
PubChem CID163464299
Molecular FormulaC21H23Cl2F
Molecular Weight365.32 g/mol
Exact Mass364.12
IUPAC Name2-[(2R)-4-(3,4-dichlorophenyl)-2-methylbutyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene
SMILESC[C@H](CCc1ccc(Cl)c(Cl)c1)CC1CCc2ccc(F)cc2C1
InChIInChI=1S/C21H23Cl2F/c1-14(2-3-15-5-9-20(22)21(23)12-15)10-16-4-6-17-7-8-19(24)13-18(17)11-16/h5,7-9,12-14,16H,2-4,6,10-11H2,1H3/t14-,16?/m1/s1
InChIKeyBRFFOXOXOHWDKH-IURRXHLWSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.32
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[(2R)-4-(3,4-dichlorophenyl)-2-methylbutyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene 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 2-[(2R)-4-(3,4-dichlorophenyl)-2-methylbutyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-[(2R)-4-(3,4-dichlorophenyl)-2-methylbutyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene (CID 163464299) is 2-[(2R)-4-(3,4-dichlorophenyl)-2-methylbutyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-[(2R)-4-(3,4-dichlorophenyl)-2-methylbutyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-[(2R)-4-(3,4-dichlorophenyl)-2-methylbutyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene is C[C@H](CCc1ccc(Cl)c(Cl)c1)CC1CCc2ccc(F)cc2C1.
What is the InChIKey of 2-[(2R)-4-(3,4-dichlorophenyl)-2-methylbutyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene?
The InChIKey is BRFFOXOXOHWDKH-IURRXHLWSA-N. The full InChI is InChI=1S/C21H23Cl2F/c1-14(2-3-15-5-9-20(22)21(23)12-15)10-16-4-6-17-7-8-19(24)13-18(17)11-16/h5,7-9,12-14,16H,2-4,6,10-11H2,1H3/t14-,16?/m1/s1.
What are the key properties of 2-[(2R)-4-(3,4-dichlorophenyl)-2-methylbutyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene?
2-[(2R)-4-(3,4-dichlorophenyl)-2-methylbutyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene has a molecular weight of 365.32 g/mol, XLogP of 6.90, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(3,4-dichlorophenyl)-2-methylbutyl]-7-fluoro-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 163464299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).