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

C11H13FO — CID 59218412

IUPAC(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methanol
SMILESOCc1ccc2c(c1F)CCCC2
InChIInChI=1S/C11H13FO/c12-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h5-6,13H,1-4,7H2
InChIKeyLTQTTWLGDPRMMU-UHFFFAOYSA-N
MW180.22 g/mol
LogP2.20
Rot. Bonds1

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

(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methanol (PubChem CID 59218412) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is (1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methanol.

Molecular Properties

Compound Name(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methanol
PubChem CID59218412
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methanol
SMILESOCc1ccc2c(c1F)CCCC2
InChIInChI=1S/C11H13FO/c12-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h5-6,13H,1-4,7H2
InChIKeyLTQTTWLGDPRMMU-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methanol?
The IUPAC name of (1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methanol (CID 59218412) is (1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methanol.
What is the SMILES notation for (1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methanol?
The canonical SMILES for (1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methanol is OCc1ccc2c(c1F)CCCC2.
What is the InChIKey of (1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methanol?
The InChIKey is LTQTTWLGDPRMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c12-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h5-6,13H,1-4,7H2.
What are the key properties of (1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methanol?
(1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methanol has a molecular weight of 180.22 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)methanol is sourced from PubChem (CID 59218412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).