(3S,4R)-4-[(3,3-difluorocyclobutyl)methyl-methylamino]oxolan-3-ol

C10H17F2NO2 — CID 126793835

IUPAC(3S,4R)-4-[(3,3-difluorocyclobutyl)methyl-methylamino]oxolan-3-ol
SMILESCN(CC1CC(F)(F)C1)[C@@H]1COC[C@H]1O
InChIInChI=1S/C10H17F2NO2/c1-13(8-5-15-6-9(8)14)4-7-2-10(11,12)3-7/h7-9,14H,2-6H2,1H3/t8-,9-/m1/s1
InChIKeyKXATVRMIFSMVTH-RKDXNWHRSA-N
MW221.25 g/mol
LogP0.72
Rot. Bonds3

About (3S,4R)-4-[(3,3-difluorocyclobutyl)methyl-methylamino]oxolan-3-ol

(3S,4R)-4-[(3,3-difluorocyclobutyl)methyl-methylamino]oxolan-3-ol (PubChem CID 126793835) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is (3S,4R)-4-[(3,3-difluorocyclobutyl)methyl-methylamino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[(3,3-difluorocyclobutyl)methyl-methylamino]oxolan-3-ol
PubChem CID126793835
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name(3S,4R)-4-[(3,3-difluorocyclobutyl)methyl-methylamino]oxolan-3-ol
SMILESCN(CC1CC(F)(F)C1)[C@@H]1COC[C@H]1O
InChIInChI=1S/C10H17F2NO2/c1-13(8-5-15-6-9(8)14)4-7-2-10(11,12)3-7/h7-9,14H,2-6H2,1H3/t8-,9-/m1/s1
InChIKeyKXATVRMIFSMVTH-RKDXNWHRSA-N
XLogP0.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(3,3-difluorocyclobutyl)methyl-methylamino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[(3,3-difluorocyclobutyl)methyl-methylamino]oxolan-3-ol (CID 126793835) is (3S,4R)-4-[(3,3-difluorocyclobutyl)methyl-methylamino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[(3,3-difluorocyclobutyl)methyl-methylamino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[(3,3-difluorocyclobutyl)methyl-methylamino]oxolan-3-ol is CN(CC1CC(F)(F)C1)[C@@H]1COC[C@H]1O.
What is the InChIKey of (3S,4R)-4-[(3,3-difluorocyclobutyl)methyl-methylamino]oxolan-3-ol?
The InChIKey is KXATVRMIFSMVTH-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-13(8-5-15-6-9(8)14)4-7-2-10(11,12)3-7/h7-9,14H,2-6H2,1H3/t8-,9-/m1/s1.
What are the key properties of (3S,4R)-4-[(3,3-difluorocyclobutyl)methyl-methylamino]oxolan-3-ol?
(3S,4R)-4-[(3,3-difluorocyclobutyl)methyl-methylamino]oxolan-3-ol has a molecular weight of 221.25 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(3,3-difluorocyclobutyl)methyl-methylamino]oxolan-3-ol is sourced from PubChem (CID 126793835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).