(1S)-7-bromo-5,8-difluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

C11H11BrF2O — CID 115417907

IUPAC(1S)-7-bromo-5,8-difluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC1CC[C@H](O)c2c(F)c(Br)cc(F)c21
InChIInChI=1S/C11H11BrF2O/c1-5-2-3-8(15)10-9(5)7(13)4-6(12)11(10)14/h4-5,8,15H,2-3H2,1H3/t5?,8-/m0/s1
InChIKeyAHPIOIUTRVPGMD-DWHDZERNSA-N
MW277.11 g/mol
LogP3.66
Rot. Bonds

About (1S)-7-bromo-5,8-difluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol

(1S)-7-bromo-5,8-difluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 115417907) has the molecular formula C11H11BrF2O and a molecular weight of 277.11 g/mol. Its IUPAC name is (1S)-7-bromo-5,8-difluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S)-7-bromo-5,8-difluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID115417907
Molecular FormulaC11H11BrF2O
Molecular Weight277.11 g/mol
Exact Mass276.00
IUPAC Name(1S)-7-bromo-5,8-difluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESCC1CC[C@H](O)c2c(F)c(Br)cc(F)c21
InChIInChI=1S/C11H11BrF2O/c1-5-2-3-8(15)10-9(5)7(13)4-6(12)11(10)14/h4-5,8,15H,2-3H2,1H3/t5?,8-/m0/s1
InChIKeyAHPIOIUTRVPGMD-DWHDZERNSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

7-bromo-5,8-difluoro-4-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 115417432
(10R)-6-bromo-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-ol
CID 115417852
(4R)-5-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-ol
CID 107102402
(1R)-8-bromo-5-methoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417809
(1S)-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417791
(1S)-5-bromo-7,8-diethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417797
(1R)-7-chloro-4,5,8-trimethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417912
2-[(2S)-azetidin-2-yl]-3-bromo-5,6-difluorophenol
CID 130700324
7-bromo-5-fluoro-2,3-dihydro-1H-inden-1-ol
CID 171613740
(1R)-6-bromo-4,7-difluoro-3,3-dimethyl-1,2-dihydroinden-1-amine
CID 79837850
2-[(2S)-azetidin-2-yl]-4,6-dibromo-3-fluoroaniline
CID 131190603
(5R)-6-bromo-9-fluoro-3-methyl-1,3,4,5-tetrahydro-2-benzothiepin-5-ol
CID 82887321

Frequently Asked Questions

What is the IUPAC name of (1S)-7-bromo-5,8-difluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1S)-7-bromo-5,8-difluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 115417907) is (1S)-7-bromo-5,8-difluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1S)-7-bromo-5,8-difluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1S)-7-bromo-5,8-difluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is CC1CC[C@H](O)c2c(F)c(Br)cc(F)c21.
What is the InChIKey of (1S)-7-bromo-5,8-difluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is AHPIOIUTRVPGMD-DWHDZERNSA-N. The full InChI is InChI=1S/C11H11BrF2O/c1-5-2-3-8(15)10-9(5)7(13)4-6(12)11(10)14/h4-5,8,15H,2-3H2,1H3/t5?,8-/m0/s1.
What are the key properties of (1S)-7-bromo-5,8-difluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol?
(1S)-7-bromo-5,8-difluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 277.11 g/mol, XLogP of 3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-bromo-5,8-difluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 115417907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).