1-naphthalen-2-yl-2-(4,4,4-trifluorobutoxy)ethanol

C16H17F3O2 — CID 82783054

IUPAC1-naphthalen-2-yl-2-(4,4,4-trifluorobutoxy)ethanol
SMILESOC(COCCCC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C16H17F3O2/c17-16(18,19)8-3-9-21-11-15(20)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10,15,20H,3,8-9,11H2
InChIKeyGIRMKVOHDAMIAE-UHFFFAOYSA-N
MW298.30 g/mol
LogP4.23
Rot. Bonds6

About 1-naphthalen-2-yl-2-(4,4,4-trifluorobutoxy)ethanol

1-naphthalen-2-yl-2-(4,4,4-trifluorobutoxy)ethanol (PubChem CID 82783054) has the molecular formula C16H17F3O2 and a molecular weight of 298.30 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2-(4,4,4-trifluorobutoxy)ethanol.

Molecular Properties

Compound Name1-naphthalen-2-yl-2-(4,4,4-trifluorobutoxy)ethanol
PubChem CID82783054
Molecular FormulaC16H17F3O2
Molecular Weight298.30 g/mol
Exact Mass298.12
IUPAC Name1-naphthalen-2-yl-2-(4,4,4-trifluorobutoxy)ethanol
SMILESOC(COCCCC(F)(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C16H17F3O2/c17-16(18,19)8-3-9-21-11-15(20)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10,15,20H,3,8-9,11H2
InChIKeyGIRMKVOHDAMIAE-UHFFFAOYSA-N
XLogP4.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol
CID 64565521
3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol
CID 55115850
1-phenyl-3-(4,4,4-trifluorobutoxy)propan-1-ol
CID 116693441
1-naphthalen-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16780890
1-naphthalen-1-yl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82781742
(1S)-1-naphthalen-2-ylbutane-1,4-diol
CID 163077127
2-(7,7,7-trifluoroheptoxy)naphthalene
CID 134838643
2-(1-butoxypropan-2-yl)naphthalene
CID 91801948
(1S)-1-naphthalen-2-yl-2-tri(propan-2-yl)silyloxyethanol
CID 10736263
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(3,3,3-trifluoropropoxy)ethanol
CID 82962827
2-(ethenylamino)oxy-1-naphthalen-2-ylethanol
CID 57038256
2-(3,3-dimethylbutoxy)-1-naphthalen-2-ylethanamine
CID 66234275

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2-(4,4,4-trifluorobutoxy)ethanol?
The IUPAC name of 1-naphthalen-2-yl-2-(4,4,4-trifluorobutoxy)ethanol (CID 82783054) is 1-naphthalen-2-yl-2-(4,4,4-trifluorobutoxy)ethanol.
What is the SMILES notation for 1-naphthalen-2-yl-2-(4,4,4-trifluorobutoxy)ethanol?
The canonical SMILES for 1-naphthalen-2-yl-2-(4,4,4-trifluorobutoxy)ethanol is OC(COCCCC(F)(F)F)c1ccc2ccccc2c1.
What is the InChIKey of 1-naphthalen-2-yl-2-(4,4,4-trifluorobutoxy)ethanol?
The InChIKey is GIRMKVOHDAMIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3O2/c17-16(18,19)8-3-9-21-11-15(20)14-7-6-12-4-1-2-5-13(12)10-14/h1-2,4-7,10,15,20H,3,8-9,11H2.
What are the key properties of 1-naphthalen-2-yl-2-(4,4,4-trifluorobutoxy)ethanol?
1-naphthalen-2-yl-2-(4,4,4-trifluorobutoxy)ethanol has a molecular weight of 298.30 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-2-(4,4,4-trifluorobutoxy)ethanol is sourced from PubChem (CID 82783054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).