(2R)-3,3-difluoro-2-(oxolan-3-ylamino)propan-1-ol

C7H13F2NO2 — CID 169182278

IUPAC(2R)-3,3-difluoro-2-(oxolan-3-ylamino)propan-1-ol
SMILESOC[C@@H](NC1CCOC1)C(F)F
InChIInChI=1S/C7H13F2NO2/c8-7(9)6(3-11)10-5-1-2-12-4-5/h5-7,10-11H,1-4H2/t5?,6-/m1/s1
InChIKeyTZKLXVMTVWEYCQ-PRJDIBJQSA-N
MW181.18 g/mol
LogP-0.01
Rot. Bonds4

About (2R)-3,3-difluoro-2-(oxolan-3-ylamino)propan-1-ol

(2R)-3,3-difluoro-2-(oxolan-3-ylamino)propan-1-ol (PubChem CID 169182278) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is (2R)-3,3-difluoro-2-(oxolan-3-ylamino)propan-1-ol.

Molecular Properties

Compound Name(2R)-3,3-difluoro-2-(oxolan-3-ylamino)propan-1-ol
PubChem CID169182278
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name(2R)-3,3-difluoro-2-(oxolan-3-ylamino)propan-1-ol
SMILESOC[C@@H](NC1CCOC1)C(F)F
InChIInChI=1S/C7H13F2NO2/c8-7(9)6(3-11)10-5-1-2-12-4-5/h5-7,10-11H,1-4H2/t5?,6-/m1/s1
InChIKeyTZKLXVMTVWEYCQ-PRJDIBJQSA-N
XLogP-0.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-difluoro-2-(oxolan-3-ylamino)propan-1-ol?
The IUPAC name of (2R)-3,3-difluoro-2-(oxolan-3-ylamino)propan-1-ol (CID 169182278) is (2R)-3,3-difluoro-2-(oxolan-3-ylamino)propan-1-ol.
What is the SMILES notation for (2R)-3,3-difluoro-2-(oxolan-3-ylamino)propan-1-ol?
The canonical SMILES for (2R)-3,3-difluoro-2-(oxolan-3-ylamino)propan-1-ol is OC[C@@H](NC1CCOC1)C(F)F.
What is the InChIKey of (2R)-3,3-difluoro-2-(oxolan-3-ylamino)propan-1-ol?
The InChIKey is TZKLXVMTVWEYCQ-PRJDIBJQSA-N. The full InChI is InChI=1S/C7H13F2NO2/c8-7(9)6(3-11)10-5-1-2-12-4-5/h5-7,10-11H,1-4H2/t5?,6-/m1/s1.
What are the key properties of (2R)-3,3-difluoro-2-(oxolan-3-ylamino)propan-1-ol?
(2R)-3,3-difluoro-2-(oxolan-3-ylamino)propan-1-ol has a molecular weight of 181.18 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-difluoro-2-(oxolan-3-ylamino)propan-1-ol is sourced from PubChem (CID 169182278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).