azane;[3-fluoro-2-(hydroxymethyl)prop-2-enyl] 2,2-dimethylpropanoate

C9H18FNO3 — CID 175069340

IUPACazane;[3-fluoro-2-(hydroxymethyl)prop-2-enyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC(=CF)CO.N
InChIInChI=1S/C9H15FO3.H3N/c1-9(2,3)8(12)13-6-7(4-10)5-11;/h4,11H,5-6H2,1-3H3;1H3
InChIKeyTWSLNYSVYNXCJJ-UHFFFAOYSA-N
MW207.24 g/mol
LogP1.58
Rot. Bonds3

About azane;[3-fluoro-2-(hydroxymethyl)prop-2-enyl] 2,2-dimethylpropanoate

azane;[3-fluoro-2-(hydroxymethyl)prop-2-enyl] 2,2-dimethylpropanoate (PubChem CID 175069340) has the molecular formula C9H18FNO3 and a molecular weight of 207.24 g/mol. Its IUPAC name is azane;[3-fluoro-2-(hydroxymethyl)prop-2-enyl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Nameazane;[3-fluoro-2-(hydroxymethyl)prop-2-enyl] 2,2-dimethylpropanoate
PubChem CID175069340
Molecular FormulaC9H18FNO3
Molecular Weight207.24 g/mol
Exact Mass207.13
IUPAC Nameazane;[3-fluoro-2-(hydroxymethyl)prop-2-enyl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCC(=CF)CO.N
InChIInChI=1S/C9H15FO3.H3N/c1-9(2,3)8(12)13-6-7(4-10)5-11;/h4,11H,5-6H2,1-3H3;1H3
InChIKeyTWSLNYSVYNXCJJ-UHFFFAOYSA-N
XLogP1.58
TPSA81.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3,3-dimethyl-2-oxobutyl) 2,2-dimethylpropanoate
CID 10035882
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate
CID 154107632
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
2-(2,2,2-trifluoroacetyl)oxyethyl 2,2-dimethylpropanoate
CID 90159990
2-(2,2-dimethylpropanoyloxy)-1,1-difluoroethanesulfinic acid
CID 58112903
2-prop-2-enoxyethyl 2,2-dimethylpropanoate
CID 89277080
3,3-difluorobutyl 2,2-dimethylpropanoate
CID 58568306
(carbamoylamino)methyl 2,2-dimethylpropanoate
CID 147206846
(2-hydroxy-2-methylpropyl) 2,2-dimethylpropanoate
CID 10583373
[bis(2,2-dimethylpropanoyloxymethoxy)phosphanylmethyl-(2,2-dimethylpropanoyloxymethoxy)phosphanyl]oxymethyl 2,2-dimethylpropanoate
CID 154703347
bis(2,2-dimethylpropanoyloxymethyl) undecanedioate
CID 91593861
[3-(2,2-dimethylpropanoyloxy)-2-methylpropyl] 2,2-dimethylpropanoate
CID 59464527

Frequently Asked Questions

What is the IUPAC name of azane;[3-fluoro-2-(hydroxymethyl)prop-2-enyl] 2,2-dimethylpropanoate?
The IUPAC name of azane;[3-fluoro-2-(hydroxymethyl)prop-2-enyl] 2,2-dimethylpropanoate (CID 175069340) is azane;[3-fluoro-2-(hydroxymethyl)prop-2-enyl] 2,2-dimethylpropanoate.
What is the SMILES notation for azane;[3-fluoro-2-(hydroxymethyl)prop-2-enyl] 2,2-dimethylpropanoate?
The canonical SMILES for azane;[3-fluoro-2-(hydroxymethyl)prop-2-enyl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCC(=CF)CO.N.
What is the InChIKey of azane;[3-fluoro-2-(hydroxymethyl)prop-2-enyl] 2,2-dimethylpropanoate?
The InChIKey is TWSLNYSVYNXCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO3.H3N/c1-9(2,3)8(12)13-6-7(4-10)5-11;/h4,11H,5-6H2,1-3H3;1H3.
What are the key properties of azane;[3-fluoro-2-(hydroxymethyl)prop-2-enyl] 2,2-dimethylpropanoate?
azane;[3-fluoro-2-(hydroxymethyl)prop-2-enyl] 2,2-dimethylpropanoate has a molecular weight of 207.24 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;[3-fluoro-2-(hydroxymethyl)prop-2-enyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 175069340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).