4-chloro-6-fluoro-1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene

C13H16ClF — CID 115418057

IUPAC4-chloro-6-fluoro-1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCc1cc2c(c(C)c1F)C(Cl)CCC2C
InChIInChI=1S/C13H16ClF/c1-7-4-5-11(14)12-9(3)13(15)8(2)6-10(7)12/h6-7,11H,4-5H2,1-3H3
InChIKeyLRTXKBCRYVNHAY-UHFFFAOYSA-N
MW226.72 g/mol
LogP4.62
Rot. Bonds

About 4-chloro-6-fluoro-1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene

4-chloro-6-fluoro-1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 115418057) has the molecular formula C13H16ClF and a molecular weight of 226.72 g/mol. Its IUPAC name is 4-chloro-6-fluoro-1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name4-chloro-6-fluoro-1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene
PubChem CID115418057
Molecular FormulaC13H16ClF
Molecular Weight226.72 g/mol
Exact Mass226.09
IUPAC Name4-chloro-6-fluoro-1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCc1cc2c(c(C)c1F)C(Cl)CCC2C
InChIInChI=1S/C13H16ClF/c1-7-4-5-11(14)12-9(3)13(15)8(2)6-10(7)12/h6-7,11H,4-5H2,1-3H3
InChIKeyLRTXKBCRYVNHAY-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.72
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-5,8-diethyl-4-methyl-1,2,3,4-tetrahydronaphthalene
CID 115418044
(1S)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417703
(1R)-4,9-dimethyl-1,2,3,4-tetrahydrophenanthren-1-amine
CID 113305819
4-chloro-1-methyl-6-phenyl-1,2,3,4-tetrahydronaphthalene
CID 115418008
(5R,8S)-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 13368072
7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417620
(1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417616
N-ethyl-6-fluoro-3,3,5,7-tetramethyl-1,2-dihydroinden-1-amine
CID 79838628
3-chloro-2-fluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 158163043
7-fluoro-6,8-dimethyl-1,2,4,5-tetrahydro-3-benzoxepin-5-ol
CID 65297172
4-(2,6-difluoro-3,5-dimethylphenyl)piperidine
CID 84790268
1-chloro-3,3,5,6-tetramethyl-1,2-dihydroindene
CID 115483289

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-fluoro-1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 4-chloro-6-fluoro-1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene (CID 115418057) is 4-chloro-6-fluoro-1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 4-chloro-6-fluoro-1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 4-chloro-6-fluoro-1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene is Cc1cc2c(c(C)c1F)C(Cl)CCC2C.
What is the InChIKey of 4-chloro-6-fluoro-1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is LRTXKBCRYVNHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF/c1-7-4-5-11(14)12-9(3)13(15)8(2)6-10(7)12/h6-7,11H,4-5H2,1-3H3.
What are the key properties of 4-chloro-6-fluoro-1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene?
4-chloro-6-fluoro-1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 226.72 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-fluoro-1,5,7-trimethyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 115418057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).