(2R)-1-fluoro-2-[(3S)-piperidin-3-yl]propan-2-ol

C8H16FNO — CID 171843152

IUPAC(2R)-1-fluoro-2-[(3S)-piperidin-3-yl]propan-2-ol
SMILESC[C@](O)(CF)[C@H]1CCCNC1
InChIInChI=1S/C8H16FNO/c1-8(11,6-9)7-3-2-4-10-5-7/h7,10-11H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyVLEQQOSGMOLBCK-YUMQZZPRSA-N
MW161.22 g/mol
LogP0.71
Rot. Bonds2

About (2R)-1-fluoro-2-[(3S)-piperidin-3-yl]propan-2-ol

(2R)-1-fluoro-2-[(3S)-piperidin-3-yl]propan-2-ol (PubChem CID 171843152) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (2R)-1-fluoro-2-[(3S)-piperidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-fluoro-2-[(3S)-piperidin-3-yl]propan-2-ol
PubChem CID171843152
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(2R)-1-fluoro-2-[(3S)-piperidin-3-yl]propan-2-ol
SMILESC[C@](O)(CF)[C@H]1CCCNC1
InChIInChI=1S/C8H16FNO/c1-8(11,6-9)7-3-2-4-10-5-7/h7,10-11H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyVLEQQOSGMOLBCK-YUMQZZPRSA-N
XLogP0.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-fluoro-2-[(3S)-piperidin-3-yl]propan-2-ol?
The IUPAC name of (2R)-1-fluoro-2-[(3S)-piperidin-3-yl]propan-2-ol (CID 171843152) is (2R)-1-fluoro-2-[(3S)-piperidin-3-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-fluoro-2-[(3S)-piperidin-3-yl]propan-2-ol?
The canonical SMILES for (2R)-1-fluoro-2-[(3S)-piperidin-3-yl]propan-2-ol is C[C@](O)(CF)[C@H]1CCCNC1.
What is the InChIKey of (2R)-1-fluoro-2-[(3S)-piperidin-3-yl]propan-2-ol?
The InChIKey is VLEQQOSGMOLBCK-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16FNO/c1-8(11,6-9)7-3-2-4-10-5-7/h7,10-11H,2-6H2,1H3/t7-,8-/m0/s1.
What are the key properties of (2R)-1-fluoro-2-[(3S)-piperidin-3-yl]propan-2-ol?
(2R)-1-fluoro-2-[(3S)-piperidin-3-yl]propan-2-ol has a molecular weight of 161.22 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-fluoro-2-[(3S)-piperidin-3-yl]propan-2-ol is sourced from PubChem (CID 171843152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).