4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-3-carboxamide

C9H16F2N2O3 — CID 106176860

IUPAC4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)NCC(F)(F)CO)COCC1N
InChIInChI=1S/C9H16F2N2O3/c1-8(5-16-2-6(8)12)7(15)13-3-9(10,11)4-14/h6,14H,2-5,12H2,1H3,(H,13,15)
InChIKeySTCQORTWUVBAOT-UHFFFAOYSA-N
MW238.23 g/mol
LogP-0.91
Rot. Bonds4

About 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-3-carboxamide

4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-3-carboxamide (PubChem CID 106176860) has the molecular formula C9H16F2N2O3 and a molecular weight of 238.23 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-3-carboxamide
PubChem CID106176860
Molecular FormulaC9H16F2N2O3
Molecular Weight238.23 g/mol
Exact Mass238.11
IUPAC Name4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-3-carboxamide
SMILESCC1(C(=O)NCC(F)(F)CO)COCC1N
InChIInChI=1S/C9H16F2N2O3/c1-8(5-16-2-6(8)12)7(15)13-3-9(10,11)4-14/h6,14H,2-5,12H2,1H3,(H,13,15)
InChIKeySTCQORTWUVBAOT-UHFFFAOYSA-N
XLogP-0.91
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-3-carboxamide (CID 106176860) is 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-3-carboxamide is CC1(C(=O)NCC(F)(F)CO)COCC1N.
What is the InChIKey of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-3-carboxamide?
The InChIKey is STCQORTWUVBAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O3/c1-8(5-16-2-6(8)12)7(15)13-3-9(10,11)4-14/h6,14H,2-5,12H2,1H3,(H,13,15).
What are the key properties of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-3-carboxamide?
4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-3-carboxamide has a molecular weight of 238.23 g/mol, XLogP of -0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 106176860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).