3-[6-(difluoromethoxy)naphthalen-2-yl]prop-2-yn-1-ol

C14H10F2O2 — CID 54995626

IUPAC3-[6-(difluoromethoxy)naphthalen-2-yl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc2cc(OC(F)F)ccc2c1
InChIInChI=1S/C14H10F2O2/c15-14(16)18-13-6-5-11-8-10(2-1-7-17)3-4-12(11)9-13/h3-6,8-9,14,17H,7H2
InChIKeyWHXLENVBIWFFBO-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.79
Rot. Bonds2

About 3-[6-(difluoromethoxy)naphthalen-2-yl]prop-2-yn-1-ol

3-[6-(difluoromethoxy)naphthalen-2-yl]prop-2-yn-1-ol (PubChem CID 54995626) has the molecular formula C14H10F2O2 and a molecular weight of 248.23 g/mol. Its IUPAC name is 3-[6-(difluoromethoxy)naphthalen-2-yl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[6-(difluoromethoxy)naphthalen-2-yl]prop-2-yn-1-ol
PubChem CID54995626
Molecular FormulaC14H10F2O2
Molecular Weight248.23 g/mol
Exact Mass248.06
IUPAC Name3-[6-(difluoromethoxy)naphthalen-2-yl]prop-2-yn-1-ol
SMILESOCC#Cc1ccc2cc(OC(F)F)ccc2c1
InChIInChI=1S/C14H10F2O2/c15-14(16)18-13-6-5-11-8-10(2-1-7-17)3-4-12(11)9-13/h3-6,8-9,14,17H,7H2
InChIKeyWHXLENVBIWFFBO-UHFFFAOYSA-N
XLogP2.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.79
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

2-(3-chloroprop-1-ynyl)-6-(difluoromethoxy)naphthalene
CID 54995919
2,7-bis(difluoromethoxy)naphthalene
CID 119024038
3-[6-(cyclobutylmethoxy)naphthalen-2-yl]prop-2-yn-1-ol
CID 65458406
3-(6-propan-2-yloxynaphthalen-2-yl)prop-2-yn-1-amine
CID 54995869
4-(6-methoxynaphthalen-2-yl)but-3-yn-1-ol
CID 54995677
3-[4-(difluoromethyl)phenyl]prop-2-yn-1-ol
CID 169484888
4-[6-(3-fluoropropoxy)naphthalen-2-yl]but-3-yn-1-ol
CID 81113064
2-(difluoromethoxy)-7-methoxynaphthalene
CID 118831620
2-(4-chlorobut-1-ynyl)-6-methoxynaphthalene
CID 54995772
1-(difluoromethoxy)naphthalene;2-(difluoromethoxy)naphthalene
CID 157339906
3-[9-(3-hydroxyprop-1-ynyl)-6,13-bis[2-tri(propan-2-yl)silylethynyl]pentacen-2-yl]prop-2-yn-1-ol
CID 23583296
4-(3-hydroxyprop-1-ynyl)benzene-1,2-diol
CID 169484709

Frequently Asked Questions

What is the IUPAC name of 3-[6-(difluoromethoxy)naphthalen-2-yl]prop-2-yn-1-ol?
The IUPAC name of 3-[6-(difluoromethoxy)naphthalen-2-yl]prop-2-yn-1-ol (CID 54995626) is 3-[6-(difluoromethoxy)naphthalen-2-yl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[6-(difluoromethoxy)naphthalen-2-yl]prop-2-yn-1-ol?
The canonical SMILES for 3-[6-(difluoromethoxy)naphthalen-2-yl]prop-2-yn-1-ol is OCC#Cc1ccc2cc(OC(F)F)ccc2c1.
What is the InChIKey of 3-[6-(difluoromethoxy)naphthalen-2-yl]prop-2-yn-1-ol?
The InChIKey is WHXLENVBIWFFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O2/c15-14(16)18-13-6-5-11-8-10(2-1-7-17)3-4-12(11)9-13/h3-6,8-9,14,17H,7H2.
What are the key properties of 3-[6-(difluoromethoxy)naphthalen-2-yl]prop-2-yn-1-ol?
3-[6-(difluoromethoxy)naphthalen-2-yl]prop-2-yn-1-ol has a molecular weight of 248.23 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(difluoromethoxy)naphthalen-2-yl]prop-2-yn-1-ol is sourced from PubChem (CID 54995626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).