1-(3-fluoro-2-octan-2-yloxyphenyl)ethanone

C16H23FO2 — CID 114058524

IUPAC1-(3-fluoro-2-octan-2-yloxyphenyl)ethanone
SMILESCCCCCCC(C)Oc1c(F)cccc1C(C)=O
InChIInChI=1S/C16H23FO2/c1-4-5-6-7-9-12(2)19-16-14(13(3)18)10-8-11-15(16)17/h8,10-12H,4-7,9H2,1-3H3
InChIKeyHPWVNOKEXVOMFS-UHFFFAOYSA-N
MW266.36 g/mol
LogP4.77
Rot. Bonds8

About 1-(3-fluoro-2-octan-2-yloxyphenyl)ethanone

1-(3-fluoro-2-octan-2-yloxyphenyl)ethanone (PubChem CID 114058524) has the molecular formula C16H23FO2 and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-(3-fluoro-2-octan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-2-octan-2-yloxyphenyl)ethanone
PubChem CID114058524
Molecular FormulaC16H23FO2
Molecular Weight266.36 g/mol
Exact Mass266.17
IUPAC Name1-(3-fluoro-2-octan-2-yloxyphenyl)ethanone
SMILESCCCCCCC(C)Oc1c(F)cccc1C(C)=O
InChIInChI=1S/C16H23FO2/c1-4-5-6-7-9-12(2)19-16-14(13(3)18)10-8-11-15(16)17/h8,10-12H,4-7,9H2,1-3H3
InChIKeyHPWVNOKEXVOMFS-UHFFFAOYSA-N
XLogP4.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2-pentan-2-yloxybenzoic acid
CID 102980945
1-but-3-en-2-yl-3-fluoro-2-nonan-2-yloxybenzene
CID 54214742
1-(4-bromo-2-octan-2-yloxyphenyl)ethanone
CID 82972449
2-[(2R)-octan-2-yl]oxybenzoic acid
CID 29003628
1-fluoro-2-[(2R)-heptan-2-yl]oxybenzene
CID 14766294
2-octan-2-yloxybenzoyl chloride
CID 76502840
2-[(2S)-octan-2-yl]oxybenzoyl chloride
CID 57274426
octan-2-yl naphthalene-1-carboxylate
CID 152706157
bis(2-octan-2-yloxyphenyl) benzene-1,2-dicarboxylate
CID 175055883
2-(1-ethoxypropan-2-yloxy)-3-fluorobenzoic acid
CID 103487194
N-ethyl-1-(2-fluoro-6-octan-2-yloxyphenyl)ethanamine
CID 43285741
1-heptadecan-2-yloxy-2-prop-1-en-2-ylbenzene
CID 142728021

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-octan-2-yloxyphenyl)ethanone?
The IUPAC name of 1-(3-fluoro-2-octan-2-yloxyphenyl)ethanone (CID 114058524) is 1-(3-fluoro-2-octan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 1-(3-fluoro-2-octan-2-yloxyphenyl)ethanone?
The canonical SMILES for 1-(3-fluoro-2-octan-2-yloxyphenyl)ethanone is CCCCCCC(C)Oc1c(F)cccc1C(C)=O.
What is the InChIKey of 1-(3-fluoro-2-octan-2-yloxyphenyl)ethanone?
The InChIKey is HPWVNOKEXVOMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO2/c1-4-5-6-7-9-12(2)19-16-14(13(3)18)10-8-11-15(16)17/h8,10-12H,4-7,9H2,1-3H3.
What are the key properties of 1-(3-fluoro-2-octan-2-yloxyphenyl)ethanone?
1-(3-fluoro-2-octan-2-yloxyphenyl)ethanone has a molecular weight of 266.36 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-octan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 114058524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).