ethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene

C13H19F — CID 172615392

IUPACethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC.C[C@H]1CCc2ccc(F)cc2C1
InChIInChI=1S/C11H13F.C2H6/c1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-2/h4-5,7-8H,2-3,6H2,1H3;1-2H3/t8-;/m0./s1
InChIKeyXAWOAOJFNOCDHH-QRPNPIFTSA-N
MW194.29 g/mol
LogP3.98
Rot. Bonds

About ethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene

ethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 172615392) has the molecular formula C13H19F and a molecular weight of 194.29 g/mol. Its IUPAC name is ethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Nameethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
PubChem CID172615392
Molecular FormulaC13H19F
Molecular Weight194.29 g/mol
Exact Mass194.15
IUPAC Nameethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
SMILESCC.C[C@H]1CCc2ccc(F)cc2C1
InChIInChI=1S/C11H13F.C2H6/c1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-2/h4-5,7-8H,2-3,6H2,1H3;1-2H3/t8-;/m0./s1
InChIKeyXAWOAOJFNOCDHH-QRPNPIFTSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane
CID 145046662
N,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 143968743
6-(3,5-difluorophenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 142035350
7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 19889857
8-fluoro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 84718242
6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 115010803
6,7-dichloro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 150751811
ethane;6-fluoro-3-methyl-3,4-dihydro-2H-chromene
CID 143996502
(2R)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334375
(2S)-5-fluoro-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 86334377
2-methyl-1,2,3,4-tetrahydrotetracene
CID 19962649
6-fluoro-N,2-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83907576

Frequently Asked Questions

What is the IUPAC name of ethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of ethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene (CID 172615392) is ethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for ethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for ethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene is CC.C[C@H]1CCc2ccc(F)cc2C1.
What is the InChIKey of ethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is XAWOAOJFNOCDHH-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H13F.C2H6/c1-8-2-3-9-4-5-11(12)7-10(9)6-8;1-2/h4-5,7-8H,2-3,6H2,1H3;1-2H3/t8-;/m0./s1.
What are the key properties of ethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene?
ethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 194.29 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 172615392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).