2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol

C13H17FO — CID 117297814

IUPAC2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
SMILESCC(CO)c1ccc2c(c1F)CCCC2
InChIInChI=1S/C13H17FO/c1-9(8-15)11-7-6-10-4-2-3-5-12(10)13(11)14/h6-7,9,15H,2-5,8H2,1H3
InChIKeyWFBWOFPGGLBVAL-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.80
Rot. Bonds2

About 2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol

2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol (PubChem CID 117297814) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
PubChem CID117297814
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
SMILESCC(CO)c1ccc2c(c1F)CCCC2
InChIInChI=1S/C13H17FO/c1-9(8-15)11-7-6-10-4-2-3-5-12(10)13(11)14/h6-7,9,15H,2-5,8H2,1H3
InChIKeyWFBWOFPGGLBVAL-UHFFFAOYSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol?
The IUPAC name of 2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol (CID 117297814) is 2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol.
What is the SMILES notation for 2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol?
The canonical SMILES for 2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol is CC(CO)c1ccc2c(c1F)CCCC2.
What is the InChIKey of 2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol?
The InChIKey is WFBWOFPGGLBVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-9(8-15)11-7-6-10-4-2-3-5-12(10)13(11)14/h6-7,9,15H,2-5,8H2,1H3.
What are the key properties of 2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol?
2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol has a molecular weight of 208.28 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol is sourced from PubChem (CID 117297814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).