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

C9H16F2N2O3 — CID 103845769

IUPAC4-amino-N-(3,3-difluoro-2-hydroxypropyl)oxane-4-carboxamide
SMILESNC1(C(=O)NCC(O)C(F)F)CCOCC1
InChIInChI=1S/C9H16F2N2O3/c10-7(11)6(14)5-13-8(15)9(12)1-3-16-4-2-9/h6-7,14H,1-5,12H2,(H,13,15)
InChIKeyYTERSWOZPKTQJN-UHFFFAOYSA-N
MW238.23 g/mol
LogP-0.76
Rot. Bonds4

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

4-amino-N-(3,3-difluoro-2-hydroxypropyl)oxane-4-carboxamide (PubChem CID 103845769) has the molecular formula C9H16F2N2O3 and a molecular weight of 238.23 g/mol. Its IUPAC name is 4-amino-N-(3,3-difluoro-2-hydroxypropyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,3-difluoro-2-hydroxypropyl)oxane-4-carboxamide
PubChem CID103845769
Molecular FormulaC9H16F2N2O3
Molecular Weight238.23 g/mol
Exact Mass238.11
IUPAC Name4-amino-N-(3,3-difluoro-2-hydroxypropyl)oxane-4-carboxamide
SMILESNC1(C(=O)NCC(O)C(F)F)CCOCC1
InChIInChI=1S/C9H16F2N2O3/c10-7(11)6(14)5-13-8(15)9(12)1-3-16-4-2-9/h6-7,14H,1-5,12H2,(H,13,15)
InChIKeyYTERSWOZPKTQJN-UHFFFAOYSA-N
XLogP-0.76
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 ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,3-difluoro-2-hydroxypropyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(3,3-difluoro-2-hydroxypropyl)oxane-4-carboxamide (CID 103845769) is 4-amino-N-(3,3-difluoro-2-hydroxypropyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(3,3-difluoro-2-hydroxypropyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(3,3-difluoro-2-hydroxypropyl)oxane-4-carboxamide is NC1(C(=O)NCC(O)C(F)F)CCOCC1.
What is the InChIKey of 4-amino-N-(3,3-difluoro-2-hydroxypropyl)oxane-4-carboxamide?
The InChIKey is YTERSWOZPKTQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O3/c10-7(11)6(14)5-13-8(15)9(12)1-3-16-4-2-9/h6-7,14H,1-5,12H2,(H,13,15).
What are the key properties of 4-amino-N-(3,3-difluoro-2-hydroxypropyl)oxane-4-carboxamide?
4-amino-N-(3,3-difluoro-2-hydroxypropyl)oxane-4-carboxamide has a molecular weight of 238.23 g/mol, XLogP of -0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,3-difluoro-2-hydroxypropyl)oxane-4-carboxamide is sourced from PubChem (CID 103845769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).