(2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-ol

C8H12F5NO — CID 90103509

IUPAC(2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESO[C@@H](CN1CCC(F)(F)CC1)C(F)(F)F
InChIInChI=1S/C8H12F5NO/c9-7(10)1-3-14(4-2-7)5-6(15)8(11,12)13/h6,15H,1-5H2/t6-/m0/s1
InChIKeyVEJWMXVKNDTRMT-LURJTMIESA-N
MW233.18 g/mol
LogP1.64
Rot. Bonds2

About (2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-ol

(2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 90103509) has the molecular formula C8H12F5NO and a molecular weight of 233.18 g/mol. Its IUPAC name is (2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID90103509
Molecular FormulaC8H12F5NO
Molecular Weight233.18 g/mol
Exact Mass233.08
IUPAC Name(2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-ol
SMILESO[C@@H](CN1CCC(F)(F)CC1)C(F)(F)F
InChIInChI=1S/C8H12F5NO/c9-7(10)1-3-14(4-2-7)5-6(15)8(11,12)13/h6,15H,1-5H2/t6-/m0/s1
InChIKeyVEJWMXVKNDTRMT-LURJTMIESA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-ol (CID 90103509) is (2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-ol is O[C@@H](CN1CCC(F)(F)CC1)C(F)(F)F.
What is the InChIKey of (2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is VEJWMXVKNDTRMT-LURJTMIESA-N. The full InChI is InChI=1S/C8H12F5NO/c9-7(10)1-3-14(4-2-7)5-6(15)8(11,12)13/h6,15H,1-5H2/t6-/m0/s1.
What are the key properties of (2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-ol?
(2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 233.18 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4,4-difluoropiperidin-1-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 90103509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).