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

C16H15FO2 — CID 81114610

IUPAC3-[2-(3-fluoropropoxy)naphthalen-1-yl]prop-2-yn-1-ol
SMILESOCC#Cc1c(OCCCF)ccc2ccccc12
InChIInChI=1S/C16H15FO2/c17-10-4-12-19-16-9-8-13-5-1-2-6-14(13)15(16)7-3-11-18/h1-2,5-6,8-9,18H,4,10-12H2
InChIKeyYKBITIIIWUICDA-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.92
Rot. Bonds4

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

3-[2-(3-fluoropropoxy)naphthalen-1-yl]prop-2-yn-1-ol (PubChem CID 81114610) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 3-[2-(3-fluoropropoxy)naphthalen-1-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-(3-fluoropropoxy)naphthalen-1-yl]prop-2-yn-1-ol
PubChem CID81114610
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name3-[2-(3-fluoropropoxy)naphthalen-1-yl]prop-2-yn-1-ol
SMILESOCC#Cc1c(OCCCF)ccc2ccccc12
InChIInChI=1S/C16H15FO2/c17-10-4-12-19-16-9-8-13-5-1-2-6-14(13)15(16)7-3-11-18/h1-2,5-6,8-9,18H,4,10-12H2
InChIKeyYKBITIIIWUICDA-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hexoxynaphthalen-1-yl)prop-2-yn-1-ol
CID 61029540
3-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 61028637
1-(3-chloroprop-1-ynyl)-2-(2-fluoroethoxy)naphthalene
CID 80696092
3-[2-(2-methylpropoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 61029183
3-[2-(2-methylbutoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 62105890
1-(3-hydroxyprop-1-ynyl)naphthalen-2-ol
CID 169485554
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
3-[2-(cyclopentylmethoxy)naphthalen-1-yl]prop-2-yn-1-amine
CID 61343580
1-hepta-1,6-diynyl-2-methoxynaphthalene
CID 46845898
4-(3-fluoropropoxy)naphthalen-1-amine
CID 81106275
2-hexoxynaphthalene-1-carbonitrile
CID 22685453

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluoropropoxy)naphthalen-1-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-(3-fluoropropoxy)naphthalen-1-yl]prop-2-yn-1-ol (CID 81114610) is 3-[2-(3-fluoropropoxy)naphthalen-1-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-(3-fluoropropoxy)naphthalen-1-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-(3-fluoropropoxy)naphthalen-1-yl]prop-2-yn-1-ol is OCC#Cc1c(OCCCF)ccc2ccccc12.
What is the InChIKey of 3-[2-(3-fluoropropoxy)naphthalen-1-yl]prop-2-yn-1-ol?
The InChIKey is YKBITIIIWUICDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c17-10-4-12-19-16-9-8-13-5-1-2-6-14(13)15(16)7-3-11-18/h1-2,5-6,8-9,18H,4,10-12H2.
What are the key properties of 3-[2-(3-fluoropropoxy)naphthalen-1-yl]prop-2-yn-1-ol?
3-[2-(3-fluoropropoxy)naphthalen-1-yl]prop-2-yn-1-ol has a molecular weight of 258.29 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluoropropoxy)naphthalen-1-yl]prop-2-yn-1-ol is sourced from PubChem (CID 81114610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).