1-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)oxybutan-2-ol

C17H16F6O2 — CID 58952837

IUPAC1-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)oxybutan-2-ol
SMILESCCC(O)COC(c1ccc2ccccc2c1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H16F6O2/c1-2-14(24)10-25-15(16(18,19)20,17(21,22)23)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14,24H,2,10H2,1H3
InChIKeyXDBIMDNKMRVXPB-UHFFFAOYSA-N
MW366.30 g/mol
LogP4.95
Rot. Bonds5

About 1-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)oxybutan-2-ol

1-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)oxybutan-2-ol (PubChem CID 58952837) has the molecular formula C17H16F6O2 and a molecular weight of 366.30 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)oxybutan-2-ol.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)oxybutan-2-ol
PubChem CID58952837
Molecular FormulaC17H16F6O2
Molecular Weight366.30 g/mol
Exact Mass366.11
IUPAC Name1-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)oxybutan-2-ol
SMILESCCC(O)COC(c1ccc2ccccc2c1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C17H16F6O2/c1-2-14(24)10-25-15(16(18,19)20,17(21,22)23)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14,24H,2,10H2,1H3
InChIKeyXDBIMDNKMRVXPB-UHFFFAOYSA-N
XLogP4.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)oxybutan-2-ol?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)oxybutan-2-ol (CID 58952837) is 1-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)oxybutan-2-ol.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)oxybutan-2-ol?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)oxybutan-2-ol is CCC(O)COC(c1ccc2ccccc2c1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)oxybutan-2-ol?
The InChIKey is XDBIMDNKMRVXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F6O2/c1-2-14(24)10-25-15(16(18,19)20,17(21,22)23)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,14,24H,2,10H2,1H3.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)oxybutan-2-ol?
1-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)oxybutan-2-ol has a molecular weight of 366.30 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoro-2-naphthalen-2-ylpropan-2-yl)oxybutan-2-ol is sourced from PubChem (CID 58952837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).