6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol

C16H21F3O — CID 115515280

IUPAC6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H21F3O/c1-15(20,9-4-10-16(17,18)19)14-8-7-12-5-2-3-6-13(12)11-14/h7-8,11,20H,2-6,9-10H2,1H3
InChIKeyKUYYULHKBADMQV-UHFFFAOYSA-N
MW286.34 g/mol
LogP4.51
Rot. Bonds4

About 6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol

6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol (PubChem CID 115515280) has the molecular formula C16H21F3O and a molecular weight of 286.34 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol.

Molecular Properties

Compound Name6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol
PubChem CID115515280
Molecular FormulaC16H21F3O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H21F3O/c1-15(20,9-4-10-16(17,18)19)14-8-7-12-5-2-3-6-13(12)11-14/h7-8,11,20H,2-6,9-10H2,1H3
InChIKeyKUYYULHKBADMQV-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-ol
CID 114851831
2-(2,3-dihydro-1H-inden-5-yl)heptan-2-ol
CID 114194197
6,6,6-trifluoro-2-naphthalen-2-ylhexan-2-ol
CID 116536006
2-(4-chlorophenyl)-6,6,6-trifluorohexan-2-ol
CID 115515246
6,6,6-trifluoro-2-[3-(trifluoromethyl)phenyl]hexan-2-ol
CID 116535882
2-(3,4-dimethoxyphenyl)-6,6,6-trifluorohexan-2-ol
CID 116535938
N-[(2R)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 101124562
N-[(2S)-2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 10999367
5-tert-butyl-2,3-dihydro-1H-indene
CID 15271758
3,3-difluoro-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-amine
CID 116838499
6-(1,1-difluoro-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 116841362
1-(4-chlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 63406681

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol?
The IUPAC name of 6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol (CID 115515280) is 6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol.
What is the SMILES notation for 6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol?
The canonical SMILES for 6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol is CC(O)(CCCC(F)(F)F)c1ccc2c(c1)CCCC2.
What is the InChIKey of 6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol?
The InChIKey is KUYYULHKBADMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3O/c1-15(20,9-4-10-16(17,18)19)14-8-7-12-5-2-3-6-13(12)11-14/h7-8,11,20H,2-6,9-10H2,1H3.
What are the key properties of 6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol?
6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol has a molecular weight of 286.34 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-2-ol is sourced from PubChem (CID 115515280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).