6-chloro-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol

C10H10ClFO — CID 164587247

IUPAC6-chloro-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2c1ccc(Cl)c2F
InChIInChI=1S/C10H10ClFO/c11-8-5-4-6-7(10(8)12)2-1-3-9(6)13/h4-5,9,13H,1-3H2
InChIKeyQCARAQIFTKTYRW-UHFFFAOYSA-N
MW200.64 g/mol
LogP2.85
Rot. Bonds

About 6-chloro-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol

6-chloro-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 164587247) has the molecular formula C10H10ClFO and a molecular weight of 200.64 g/mol. Its IUPAC name is 6-chloro-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name6-chloro-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID164587247
Molecular FormulaC10H10ClFO
Molecular Weight200.64 g/mol
Exact Mass200.04
IUPAC Name6-chloro-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2c1ccc(Cl)c2F
InChIInChI=1S/C10H10ClFO/c11-8-5-4-6-7(10(8)12)2-1-3-9(6)13/h4-5,9,13H,1-3H2
InChIKeyQCARAQIFTKTYRW-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 6-chloro-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol (CID 164587247) is 6-chloro-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 6-chloro-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 6-chloro-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol is OC1CCCc2c1ccc(Cl)c2F.
What is the InChIKey of 6-chloro-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is QCARAQIFTKTYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO/c11-8-5-4-6-7(10(8)12)2-1-3-9(6)13/h4-5,9,13H,1-3H2.
What are the key properties of 6-chloro-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol?
6-chloro-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 200.64 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 164587247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).