3,4,5-trifluoro-6-propoxynaphthalen-2-ol

C13H11F3O2 — CID 46221563

IUPAC3,4,5-trifluoro-6-propoxynaphthalen-2-ol
SMILESCCCOc1ccc2cc(O)c(F)c(F)c2c1F
InChIInChI=1S/C13H11F3O2/c1-2-5-18-9-4-3-7-6-8(17)11(14)13(16)10(7)12(9)15/h3-4,6,17H,2,5H2,1H3
InChIKeyFSSLSEUSDZRBQS-UHFFFAOYSA-N
MW256.22 g/mol
LogP3.75
Rot. Bonds3

About 3,4,5-trifluoro-6-propoxynaphthalen-2-ol

3,4,5-trifluoro-6-propoxynaphthalen-2-ol (PubChem CID 46221563) has the molecular formula C13H11F3O2 and a molecular weight of 256.22 g/mol. Its IUPAC name is 3,4,5-trifluoro-6-propoxynaphthalen-2-ol.

Molecular Properties

Compound Name3,4,5-trifluoro-6-propoxynaphthalen-2-ol
PubChem CID46221563
Molecular FormulaC13H11F3O2
Molecular Weight256.22 g/mol
Exact Mass256.07
IUPAC Name3,4,5-trifluoro-6-propoxynaphthalen-2-ol
SMILESCCCOc1ccc2cc(O)c(F)c(F)c2c1F
InChIInChI=1S/C13H11F3O2/c1-2-5-18-9-4-3-7-6-8(17)11(14)13(16)10(7)12(9)15/h3-4,6,17H,2,5H2,1H3
InChIKeyFSSLSEUSDZRBQS-UHFFFAOYSA-N
XLogP3.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(4-butylcyclohexyl)ethyl]-1,2,8-trifluoro-7-propoxynaphthalene
CID 58675802
8-fluoro-3-pentoxy-7-propoxyisochromen-1-one
CID 134190614
8-fluoro-3-prop-2-enyl-7-propoxyisochromen-1-one
CID 134190466
4-propoxybenzene-1,3-diol
CID 66563298
(2,6-difluoro-3-propoxyphenyl)methanol
CID 163198202
1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-propoxybenzene
CID 125478760
8-fluoro-7-heptoxy-3-heptylisochromen-1-one
CID 134190423
8-fluoro-3-octyl-7-pentoxyisochromen-1-one
CID 134190404
8-fluoro-7-nonoxy-3-octylisochromen-1-one
CID 134190449
7-butoxy-8-fluoro-3-hexylisochromen-1-one
CID 134190382
8-fluoro-3-heptyl-7-pentoxyisochromen-1-one
CID 134190400
3,4,5,6-tetrafluoro-2-(2-methoxyethyl)-7-propoxyphenanthrene
CID 90128808

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-6-propoxynaphthalen-2-ol?
The IUPAC name of 3,4,5-trifluoro-6-propoxynaphthalen-2-ol (CID 46221563) is 3,4,5-trifluoro-6-propoxynaphthalen-2-ol.
What is the SMILES notation for 3,4,5-trifluoro-6-propoxynaphthalen-2-ol?
The canonical SMILES for 3,4,5-trifluoro-6-propoxynaphthalen-2-ol is CCCOc1ccc2cc(O)c(F)c(F)c2c1F.
What is the InChIKey of 3,4,5-trifluoro-6-propoxynaphthalen-2-ol?
The InChIKey is FSSLSEUSDZRBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3O2/c1-2-5-18-9-4-3-7-6-8(17)11(14)13(16)10(7)12(9)15/h3-4,6,17H,2,5H2,1H3.
What are the key properties of 3,4,5-trifluoro-6-propoxynaphthalen-2-ol?
3,4,5-trifluoro-6-propoxynaphthalen-2-ol has a molecular weight of 256.22 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-6-propoxynaphthalen-2-ol is sourced from PubChem (CID 46221563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).