(1R,2S)-6-chloro-2-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol

C10H10ClFO — CID 170560467

IUPAC(1R,2S)-6-chloro-2-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO[C@@H]1c2ccc(Cl)cc2CC[C@@H]1F
InChIInChI=1S/C10H10ClFO/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h2-3,5,9-10,13H,1,4H2/t9-,10+/m0/s1
InChIKeyHZHHABQZPFCWOR-VHSXEESVSA-N
MW200.64 g/mol
LogP2.66
Rot. Bonds

About (1R,2S)-6-chloro-2-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol

(1R,2S)-6-chloro-2-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 170560467) has the molecular formula C10H10ClFO and a molecular weight of 200.64 g/mol. Its IUPAC name is (1R,2S)-6-chloro-2-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,2S)-6-chloro-2-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID170560467
Molecular FormulaC10H10ClFO
Molecular Weight200.64 g/mol
Exact Mass200.04
IUPAC Name(1R,2S)-6-chloro-2-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO[C@@H]1c2ccc(Cl)cc2CC[C@@H]1F
InChIInChI=1S/C10H10ClFO/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h2-3,5,9-10,13H,1,4H2/t9-,10+/m0/s1
InChIKeyHZHHABQZPFCWOR-VHSXEESVSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4-Tetrahydro-1-naphthalenol
CID 10723
4,4'-Dichlorobenzhydrol
CID 7033
4-Chlorobenzhydrol
CID 8401
Benzenemethanol, 4-chloro-alpha-methyl-
CID 18825
(R)-(-)-1,2,3,4-Tetrahydro-1-naphthol
CID 7058028
1-Tetralol, (S)-
CID 7058029
4-Chloro-alpha-ethylbenzenemethanol
CID 83774
(R)-1-(4-chlorophenyl)-1-propanol
CID 10080818
(1R)-1-(3-chlorophenyl)propan-1-ol
CID 10920958
3-Chloro-alpha-ethylbenzenemethanol
CID 11147981
1-(4-Chlorophenyl)-2,2,2-trifluoroethanol
CID 260399
(3-Chlorophenyl)(phenyl)methanol
CID 569907

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-6-chloro-2-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1R,2S)-6-chloro-2-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol (CID 170560467) is (1R,2S)-6-chloro-2-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1R,2S)-6-chloro-2-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1R,2S)-6-chloro-2-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol is O[C@@H]1c2ccc(Cl)cc2CC[C@@H]1F.
What is the InChIKey of (1R,2S)-6-chloro-2-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is HZHHABQZPFCWOR-VHSXEESVSA-N. The full InChI is InChI=1S/C10H10ClFO/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h2-3,5,9-10,13H,1,4H2/t9-,10+/m0/s1.
What are the key properties of (1R,2S)-6-chloro-2-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol?
(1R,2S)-6-chloro-2-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 200.64 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-6-chloro-2-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 170560467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).