3-[(1,1-difluoropropan-2-ylamino)methyl]oxolan-3-ol

C8H15F2NO2 — CID 106099939

IUPAC3-[(1,1-difluoropropan-2-ylamino)methyl]oxolan-3-ol
SMILESCC(NCC1(O)CCOC1)C(F)F
InChIInChI=1S/C8H15F2NO2/c1-6(7(9)10)11-4-8(12)2-3-13-5-8/h6-7,11-12H,2-5H2,1H3
InChIKeyKOGMSEFIIQEEGE-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.38
Rot. Bonds4

About 3-[(1,1-difluoropropan-2-ylamino)methyl]oxolan-3-ol

3-[(1,1-difluoropropan-2-ylamino)methyl]oxolan-3-ol (PubChem CID 106099939) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 3-[(1,1-difluoropropan-2-ylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(1,1-difluoropropan-2-ylamino)methyl]oxolan-3-ol
PubChem CID106099939
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name3-[(1,1-difluoropropan-2-ylamino)methyl]oxolan-3-ol
SMILESCC(NCC1(O)CCOC1)C(F)F
InChIInChI=1S/C8H15F2NO2/c1-6(7(9)10)11-4-8(12)2-3-13-5-8/h6-7,11-12H,2-5H2,1H3
InChIKeyKOGMSEFIIQEEGE-UHFFFAOYSA-N
XLogP0.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,1-difluoropropan-2-ylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(1,1-difluoropropan-2-ylamino)methyl]oxolan-3-ol (CID 106099939) is 3-[(1,1-difluoropropan-2-ylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(1,1-difluoropropan-2-ylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(1,1-difluoropropan-2-ylamino)methyl]oxolan-3-ol is CC(NCC1(O)CCOC1)C(F)F.
What is the InChIKey of 3-[(1,1-difluoropropan-2-ylamino)methyl]oxolan-3-ol?
The InChIKey is KOGMSEFIIQEEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-6(7(9)10)11-4-8(12)2-3-13-5-8/h6-7,11-12H,2-5H2,1H3.
What are the key properties of 3-[(1,1-difluoropropan-2-ylamino)methyl]oxolan-3-ol?
3-[(1,1-difluoropropan-2-ylamino)methyl]oxolan-3-ol has a molecular weight of 195.21 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,1-difluoropropan-2-ylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 106099939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).