1-(3-chloroprop-1-ynyl)-2-(2-fluoroethoxy)naphthalene

C15H12ClFO — CID 80696092

IUPAC1-(3-chloroprop-1-ynyl)-2-(2-fluoroethoxy)naphthalene
SMILESFCCOc1ccc2ccccc2c1C#CCCl
InChIInChI=1S/C15H12ClFO/c16-9-3-6-14-13-5-2-1-4-12(13)7-8-15(14)18-11-10-17/h1-2,4-5,7-8H,9-11H2
InChIKeyWADWUPAZBLTUJR-UHFFFAOYSA-N
MW262.71 g/mol
LogP3.78
Rot. Bonds3

About 1-(3-chloroprop-1-ynyl)-2-(2-fluoroethoxy)naphthalene

1-(3-chloroprop-1-ynyl)-2-(2-fluoroethoxy)naphthalene (PubChem CID 80696092) has the molecular formula C15H12ClFO and a molecular weight of 262.71 g/mol. Its IUPAC name is 1-(3-chloroprop-1-ynyl)-2-(2-fluoroethoxy)naphthalene.

Molecular Properties

Compound Name1-(3-chloroprop-1-ynyl)-2-(2-fluoroethoxy)naphthalene
PubChem CID80696092
Molecular FormulaC15H12ClFO
Molecular Weight262.71 g/mol
Exact Mass262.06
IUPAC Name1-(3-chloroprop-1-ynyl)-2-(2-fluoroethoxy)naphthalene
SMILESFCCOc1ccc2ccccc2c1C#CCCl
InChIInChI=1S/C15H12ClFO/c16-9-3-6-14-13-5-2-1-4-12(13)7-8-15(14)18-11-10-17/h1-2,4-5,7-8H,9-11H2
InChIKeyWADWUPAZBLTUJR-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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
1-(3-chloroprop-1-ynyl)-2-pentan-2-yloxynaphthalene
CID 107885385
3-[2-(2,2,2-trifluoroethoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 61028637
3-(2-hexoxynaphthalen-1-yl)prop-2-yn-1-ol
CID 61029540
1-(bromomethyl)-2-(2-fluoroethoxy)naphthalene
CID 80696064
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
3-[2-(2-methylpropoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 61029183
1,2-bis(2-fluoroethoxy)benzene
CID 15058677
3-[2-(2-methylbutoxy)naphthalen-1-yl]prop-2-yn-1-ol
CID 62105890
3-(2-cyclopentyloxynaphthalen-1-yl)prop-2-yn-1-amine
CID 61028513
N-[[2-(2-fluoroethoxy)naphthalen-1-yl]methyl]cyclopropanamine
CID 80698952

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloroprop-1-ynyl)-2-(2-fluoroethoxy)naphthalene?
The IUPAC name of 1-(3-chloroprop-1-ynyl)-2-(2-fluoroethoxy)naphthalene (CID 80696092) is 1-(3-chloroprop-1-ynyl)-2-(2-fluoroethoxy)naphthalene.
What is the SMILES notation for 1-(3-chloroprop-1-ynyl)-2-(2-fluoroethoxy)naphthalene?
The canonical SMILES for 1-(3-chloroprop-1-ynyl)-2-(2-fluoroethoxy)naphthalene is FCCOc1ccc2ccccc2c1C#CCCl.
What is the InChIKey of 1-(3-chloroprop-1-ynyl)-2-(2-fluoroethoxy)naphthalene?
The InChIKey is WADWUPAZBLTUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO/c16-9-3-6-14-13-5-2-1-4-12(13)7-8-15(14)18-11-10-17/h1-2,4-5,7-8H,9-11H2.
What are the key properties of 1-(3-chloroprop-1-ynyl)-2-(2-fluoroethoxy)naphthalene?
1-(3-chloroprop-1-ynyl)-2-(2-fluoroethoxy)naphthalene has a molecular weight of 262.71 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloroprop-1-ynyl)-2-(2-fluoroethoxy)naphthalene is sourced from PubChem (CID 80696092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).