[4-fluoro-1-(methoxymethoxy)naphthalen-2-yl] acetate

C14H13FO4 — CID 174532407

IUPAC[4-fluoro-1-(methoxymethoxy)naphthalen-2-yl] acetate
SMILESCOCOc1c(OC(C)=O)cc(F)c2ccccc12
InChIInChI=1S/C14H13FO4/c1-9(16)19-13-7-12(15)10-5-3-4-6-11(10)14(13)18-8-17-2/h3-7H,8H2,1-2H3
InChIKeyBJAYEWGIOBSFKY-UHFFFAOYSA-N
MW264.25 g/mol
LogP2.89
Rot. Bonds4

About [4-fluoro-1-(methoxymethoxy)naphthalen-2-yl] acetate

[4-fluoro-1-(methoxymethoxy)naphthalen-2-yl] acetate (PubChem CID 174532407) has the molecular formula C14H13FO4 and a molecular weight of 264.25 g/mol. Its IUPAC name is [4-fluoro-1-(methoxymethoxy)naphthalen-2-yl] acetate.

Molecular Properties

Compound Name[4-fluoro-1-(methoxymethoxy)naphthalen-2-yl] acetate
PubChem CID174532407
Molecular FormulaC14H13FO4
Molecular Weight264.25 g/mol
Exact Mass264.08
IUPAC Name[4-fluoro-1-(methoxymethoxy)naphthalen-2-yl] acetate
SMILESCOCOc1c(OC(C)=O)cc(F)c2ccccc12
InChIInChI=1S/C14H13FO4/c1-9(16)19-13-7-12(15)10-5-3-4-6-11(10)14(13)18-8-17-2/h3-7H,8H2,1-2H3
InChIKeyBJAYEWGIOBSFKY-UHFFFAOYSA-N
XLogP2.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

9,10-bis(methoxymethoxy)anthracene
CID 150706504
(4-hexoxy-3-methoxynaphthalen-1-yl) acetate
CID 19873098
3-acetyloxy-5-fluoro-4-methoxybenzoic acid
CID 67076728
4-fluoro-1-methoxynaphthalene-2-carboxylic acid
CID 66701185
triphenylen-1-yl acetate
CID 87276472
3-fluoro-1-(3-fluoro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;3-fluoro-1-[3-fluoro-2-(methoxymethoxy)naphthalen-1-yl]-2-(methoxymethoxy)naphthalene;hydron
CID 162217619
2,4,6-trifluoro-3-(methoxymethoxy)benzoic acid
CID 164892738
acetyl acetate;(2-fluorophenyl) acetate
CID 158232558
(2-acetyloxy-3-fluorophenyl) acetate
CID 540078
(3-fluoro-2-phenylmethoxyphenyl) acetate
CID 10491566
3,5-difluoro-4-(methoxymethoxy)aniline
CID 68615412
[2,3-diacetyloxy-5-(methoxymethyl)phenyl] acetate
CID 14261267

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-1-(methoxymethoxy)naphthalen-2-yl] acetate?
The IUPAC name of [4-fluoro-1-(methoxymethoxy)naphthalen-2-yl] acetate (CID 174532407) is [4-fluoro-1-(methoxymethoxy)naphthalen-2-yl] acetate.
What is the SMILES notation for [4-fluoro-1-(methoxymethoxy)naphthalen-2-yl] acetate?
The canonical SMILES for [4-fluoro-1-(methoxymethoxy)naphthalen-2-yl] acetate is COCOc1c(OC(C)=O)cc(F)c2ccccc12.
What is the InChIKey of [4-fluoro-1-(methoxymethoxy)naphthalen-2-yl] acetate?
The InChIKey is BJAYEWGIOBSFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO4/c1-9(16)19-13-7-12(15)10-5-3-4-6-11(10)14(13)18-8-17-2/h3-7H,8H2,1-2H3.
What are the key properties of [4-fluoro-1-(methoxymethoxy)naphthalen-2-yl] acetate?
[4-fluoro-1-(methoxymethoxy)naphthalen-2-yl] acetate has a molecular weight of 264.25 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-1-(methoxymethoxy)naphthalen-2-yl] acetate is sourced from PubChem (CID 174532407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).