3,3-difluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]oxolan-2-one

C11H17F2NO4 — CID 106297747

IUPAC3,3-difluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]oxolan-2-one
SMILESO=C1OC(CNC2(CO)CCOCC2)CC1(F)F
InChIInChI=1S/C11H17F2NO4/c12-11(13)5-8(18-9(11)16)6-14-10(7-15)1-3-17-4-2-10/h8,14-15H,1-7H2
InChIKeyPRVSSCCKODCRQF-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.07
Rot. Bonds4

About 3,3-difluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]oxolan-2-one

3,3-difluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]oxolan-2-one (PubChem CID 106297747) has the molecular formula C11H17F2NO4 and a molecular weight of 265.26 g/mol. Its IUPAC name is 3,3-difluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]oxolan-2-one.

Molecular Properties

Compound Name3,3-difluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]oxolan-2-one
PubChem CID106297747
Molecular FormulaC11H17F2NO4
Molecular Weight265.26 g/mol
Exact Mass265.11
IUPAC Name3,3-difluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]oxolan-2-one
SMILESO=C1OC(CNC2(CO)CCOCC2)CC1(F)F
InChIInChI=1S/C11H17F2NO4/c12-11(13)5-8(18-9(11)16)6-14-10(7-15)1-3-17-4-2-10/h8,14-15H,1-7H2
InChIKeyPRVSSCCKODCRQF-UHFFFAOYSA-N
XLogP0.07
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]oxolan-2-one?
The IUPAC name of 3,3-difluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]oxolan-2-one (CID 106297747) is 3,3-difluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]oxolan-2-one.
What is the SMILES notation for 3,3-difluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]oxolan-2-one?
The canonical SMILES for 3,3-difluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]oxolan-2-one is O=C1OC(CNC2(CO)CCOCC2)CC1(F)F.
What is the InChIKey of 3,3-difluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]oxolan-2-one?
The InChIKey is PRVSSCCKODCRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO4/c12-11(13)5-8(18-9(11)16)6-14-10(7-15)1-3-17-4-2-10/h8,14-15H,1-7H2.
What are the key properties of 3,3-difluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]oxolan-2-one?
3,3-difluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]oxolan-2-one has a molecular weight of 265.26 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]oxolan-2-one is sourced from PubChem (CID 106297747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).