2-fluoro-2-(4-hydroxyoxepan-4-yl)acetic acid

C8H13FO4 — CID 79366710

IUPAC2-fluoro-2-(4-hydroxyoxepan-4-yl)acetic acid
SMILESO=C(O)C(F)C1(O)CCCOCC1
InChIInChI=1S/C8H13FO4/c9-6(7(10)11)8(12)2-1-4-13-5-3-8/h6,12H,1-5H2,(H,10,11)
InChIKeyVZIJGBWCWKHPED-UHFFFAOYSA-N
MW192.19 g/mol
LogP0.34
Rot. Bonds2

About 2-fluoro-2-(4-hydroxyoxepan-4-yl)acetic acid

2-fluoro-2-(4-hydroxyoxepan-4-yl)acetic acid (PubChem CID 79366710) has the molecular formula C8H13FO4 and a molecular weight of 192.19 g/mol. Its IUPAC name is 2-fluoro-2-(4-hydroxyoxepan-4-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(4-hydroxyoxepan-4-yl)acetic acid
PubChem CID79366710
Molecular FormulaC8H13FO4
Molecular Weight192.19 g/mol
Exact Mass192.08
IUPAC Name2-fluoro-2-(4-hydroxyoxepan-4-yl)acetic acid
SMILESO=C(O)C(F)C1(O)CCCOCC1
InChIInChI=1S/C8H13FO4/c9-6(7(10)11)8(12)2-1-4-13-5-3-8/h6,12H,1-5H2,(H,10,11)
InChIKeyVZIJGBWCWKHPED-UHFFFAOYSA-N
XLogP0.34
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-2-(1-hydroxy-3,3-dimethylcyclohexyl)acetic acid
CID 79366352
2-(4-hydroxyoxepan-4-yl)acetic acid
CID 65081306
(2S)-2-amino-2-(4-fluorooxan-4-yl)acetic acid
CID 129392140
carbonic acid;oxolane
CID 68584797
4-(dimethylamino)oxepane-4-carboxylic acid
CID 65081196
ethyl 2-fluoro-2-(1-hydroxycyclobutyl)acetate
CID 79366198
carbonic acid;oxane
CID 70293219
ethyl 2-fluoro-2-(1-hydroxycycloheptyl)acetate
CID 79366378
4-[(2-methylpropan-2-yl)oxy]oxepane-4-carboxylic acid
CID 115029610
1,9-dioxaspiro[4.6]undecane-2-carboxylic acid
CID 130585145
1,4,7,10-tetraoxacyclopentadecane-13,13-dicarboxylic acid
CID 19822377
4-(difluoromethyl)-N-methyloxepan-4-amine
CID 80605984

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4-hydroxyoxepan-4-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(4-hydroxyoxepan-4-yl)acetic acid (CID 79366710) is 2-fluoro-2-(4-hydroxyoxepan-4-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(4-hydroxyoxepan-4-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(4-hydroxyoxepan-4-yl)acetic acid is O=C(O)C(F)C1(O)CCCOCC1.
What is the InChIKey of 2-fluoro-2-(4-hydroxyoxepan-4-yl)acetic acid?
The InChIKey is VZIJGBWCWKHPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO4/c9-6(7(10)11)8(12)2-1-4-13-5-3-8/h6,12H,1-5H2,(H,10,11).
What are the key properties of 2-fluoro-2-(4-hydroxyoxepan-4-yl)acetic acid?
2-fluoro-2-(4-hydroxyoxepan-4-yl)acetic acid has a molecular weight of 192.19 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-hydroxyoxepan-4-yl)acetic acid is sourced from PubChem (CID 79366710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).