1-naphthalen-1-yloxy-3-(2,2,3,3,3-pentafluoropropylamino)propan-2-ol

C16H16F5NO2 — CID 10066392

IUPAC1-naphthalen-1-yloxy-3-(2,2,3,3,3-pentafluoropropylamino)propan-2-ol
SMILESOC(CNCC(F)(F)C(F)(F)F)COc1cccc2ccccc12
InChIInChI=1S/C16H16F5NO2/c17-15(18,16(19,20)21)10-22-8-12(23)9-24-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,22-23H,8-10H2
InChIKeyREFPZANEXMRUED-UHFFFAOYSA-N
MW349.30 g/mol
LogP3.37
Rot. Bonds7

About 1-naphthalen-1-yloxy-3-(2,2,3,3,3-pentafluoropropylamino)propan-2-ol

1-naphthalen-1-yloxy-3-(2,2,3,3,3-pentafluoropropylamino)propan-2-ol (PubChem CID 10066392) has the molecular formula C16H16F5NO2 and a molecular weight of 349.30 g/mol. Its IUPAC name is 1-naphthalen-1-yloxy-3-(2,2,3,3,3-pentafluoropropylamino)propan-2-ol.

Molecular Properties

Compound Name1-naphthalen-1-yloxy-3-(2,2,3,3,3-pentafluoropropylamino)propan-2-ol
PubChem CID10066392
Molecular FormulaC16H16F5NO2
Molecular Weight349.30 g/mol
Exact Mass349.11
IUPAC Name1-naphthalen-1-yloxy-3-(2,2,3,3,3-pentafluoropropylamino)propan-2-ol
SMILESOC(CNCC(F)(F)C(F)(F)F)COc1cccc2ccccc12
InChIInChI=1S/C16H16F5NO2/c17-15(18,16(19,20)21)10-22-8-12(23)9-24-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,22-23H,8-10H2
InChIKeyREFPZANEXMRUED-UHFFFAOYSA-N
XLogP3.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 3076139
1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 90672311
3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane
CID 155698850
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 18599941
methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate
CID 15578577
1-(1-aminoethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 70482185
N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide
CID 134858225
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
(2R)-1-[[(2R)-1-aminopropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol;dihydrochloride
CID 18599940
1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 110193984
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yloxy-3-(2,2,3,3,3-pentafluoropropylamino)propan-2-ol?
The IUPAC name of 1-naphthalen-1-yloxy-3-(2,2,3,3,3-pentafluoropropylamino)propan-2-ol (CID 10066392) is 1-naphthalen-1-yloxy-3-(2,2,3,3,3-pentafluoropropylamino)propan-2-ol.
What is the SMILES notation for 1-naphthalen-1-yloxy-3-(2,2,3,3,3-pentafluoropropylamino)propan-2-ol?
The canonical SMILES for 1-naphthalen-1-yloxy-3-(2,2,3,3,3-pentafluoropropylamino)propan-2-ol is OC(CNCC(F)(F)C(F)(F)F)COc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yloxy-3-(2,2,3,3,3-pentafluoropropylamino)propan-2-ol?
The InChIKey is REFPZANEXMRUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F5NO2/c17-15(18,16(19,20)21)10-22-8-12(23)9-24-14-7-3-5-11-4-1-2-6-13(11)14/h1-7,12,22-23H,8-10H2.
What are the key properties of 1-naphthalen-1-yloxy-3-(2,2,3,3,3-pentafluoropropylamino)propan-2-ol?
1-naphthalen-1-yloxy-3-(2,2,3,3,3-pentafluoropropylamino)propan-2-ol has a molecular weight of 349.30 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yloxy-3-(2,2,3,3,3-pentafluoropropylamino)propan-2-ol is sourced from PubChem (CID 10066392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).