(2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-ol

C7H13F2NO — CID 131025563

IUPAC(2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-ol
SMILESC[C@H](O)CN1CCC(F)(F)C1
InChIInChI=1S/C7H13F2NO/c1-6(11)4-10-3-2-7(8,9)5-10/h6,11H,2-5H2,1H3/t6-/m0/s1
InChIKeySYWINEFFTALABF-LURJTMIESA-N
MW165.18 g/mol
LogP0.71
Rot. Bonds2

About (2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-ol

(2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-ol (PubChem CID 131025563) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is (2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-ol
PubChem CID131025563
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name(2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-ol
SMILESC[C@H](O)CN1CCC(F)(F)C1
InChIInChI=1S/C7H13F2NO/c1-6(11)4-10-3-2-7(8,9)5-10/h6,11H,2-5H2,1H3/t6-/m0/s1
InChIKeySYWINEFFTALABF-LURJTMIESA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-ol (CID 131025563) is (2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-ol is C[C@H](O)CN1CCC(F)(F)C1.
What is the InChIKey of (2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-ol?
The InChIKey is SYWINEFFTALABF-LURJTMIESA-N. The full InChI is InChI=1S/C7H13F2NO/c1-6(11)4-10-3-2-7(8,9)5-10/h6,11H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-ol?
(2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-ol has a molecular weight of 165.18 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 131025563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).