3-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]prop-2-yn-1-ol

C15H11F3O2 — CID 61028637

IUPAC3-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]prop-2-yn-1-ol
SMILESOCC#Cc1c(OCC(F)(F)F)ccc2ccccc12
InChIInChI=1S/C15H11F3O2/c16-15(17,18)10-20-14-8-7-11-4-1-2-5-12(11)13(14)6-3-9-19/h1-2,4-5,7-8,19H,9-10H2
InChIKeyHAUVHXVBCKHUOD-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.12
Rot. Bonds2

About 3-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]prop-2-yn-1-ol

3-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]prop-2-yn-1-ol (PubChem CID 61028637) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 3-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]prop-2-yn-1-ol
PubChem CID61028637
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name3-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]prop-2-yn-1-ol
SMILESOCC#Cc1c(OCC(F)(F)F)ccc2ccccc12
InChIInChI=1S/C15H11F3O2/c16-15(17,18)10-20-14-8-7-11-4-1-2-5-12(11)13(14)6-3-9-19/h1-2,4-5,7-8,19H,9-10H2
InChIKeyHAUVHXVBCKHUOD-UHFFFAOYSA-N
XLogP3.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-fluoropropoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 81114610
3-[2-(2-methylpropoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 61029183
3-(2-hexoxynaphthalen-1-yl)prop-2-yn-1-ol
CID 61029540
3-[2-(2-methylbutoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 62105890
1-(3-hydroxyprop-1-ynyl)naphthalen-2-ol
CID 169485554
1-(chloromethyl)-2-(2,2,2-trifluoroethoxy)naphthalene
CID 43505685
3-[2-(oxan-4-yloxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 63937091
4-(2-phenylmethoxynaphthalen-1-yl)but-3-yn-1-ol
CID 61029666
1-(3-chloroprop-1-ynyl)-2-(2-fluoroethoxy)naphthalene
CID 80696092
N,N'-bis[2-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]ethyl]butane-1,4-diamine
CID 44531144
N-[[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]methyl]propan-2-amine
CID 43505572
2-ethoxy-1-ethynylnaphthalene
CID 53434223

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]prop-2-yn-1-ol (CID 61028637) is 3-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]prop-2-yn-1-ol is OCC#Cc1c(OCC(F)(F)F)ccc2ccccc12.
What is the InChIKey of 3-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]prop-2-yn-1-ol?
The InChIKey is HAUVHXVBCKHUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c16-15(17,18)10-20-14-8-7-11-4-1-2-5-12(11)13(14)6-3-9-19/h1-2,4-5,7-8,19H,9-10H2.
What are the key properties of 3-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]prop-2-yn-1-ol?
3-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]prop-2-yn-1-ol has a molecular weight of 280.25 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]prop-2-yn-1-ol is sourced from PubChem (CID 61028637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).