[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol

C12H13F3O — CID 14114278

IUPAC[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
SMILESOCC1CCCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C12H13F3O/c13-12(14,15)10-4-5-11-8(6-10)2-1-3-9(11)7-16/h4-6,9,16H,1-3,7H2
InChIKeyDOJLSQXMVIDWSO-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.12
Rot. Bonds1

About [6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol

[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol (PubChem CID 14114278) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is [6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol.

Molecular Properties

Compound Name[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
PubChem CID14114278
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
SMILESOCC1CCCc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C12H13F3O/c13-12(14,15)10-4-5-11-8(6-10)2-1-3-9(11)7-16/h4-6,9,16H,1-3,7H2
InChIKeyDOJLSQXMVIDWSO-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol?
The IUPAC name of [6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol (CID 14114278) is [6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol.
What is the SMILES notation for [6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol?
The canonical SMILES for [6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol is OCC1CCCc2cc(C(F)(F)F)ccc21.
What is the InChIKey of [6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol?
The InChIKey is DOJLSQXMVIDWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c13-12(14,15)10-4-5-11-8(6-10)2-1-3-9(11)7-16/h4-6,9,16H,1-3,7H2.
What are the key properties of [6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol?
[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol has a molecular weight of 230.23 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanol is sourced from PubChem (CID 14114278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).