2-[3-(1,1-difluoroethyl)piperidin-1-yl]ethanol

C9H17F2NO — CID 121202515

IUPAC2-[3-(1,1-difluoroethyl)piperidin-1-yl]ethanol
SMILESCC(F)(F)C1CCCN(CCO)C1
InChIInChI=1S/C9H17F2NO/c1-9(10,11)8-3-2-4-12(7-8)5-6-13/h8,13H,2-7H2,1H3
InChIKeyQBPVBXOEKZXDQL-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.35
Rot. Bonds3

About 2-[3-(1,1-difluoroethyl)piperidin-1-yl]ethanol

2-[3-(1,1-difluoroethyl)piperidin-1-yl]ethanol (PubChem CID 121202515) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 2-[3-(1,1-difluoroethyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(1,1-difluoroethyl)piperidin-1-yl]ethanol
PubChem CID121202515
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name2-[3-(1,1-difluoroethyl)piperidin-1-yl]ethanol
SMILESCC(F)(F)C1CCCN(CCO)C1
InChIInChI=1S/C9H17F2NO/c1-9(10,11)8-3-2-4-12(7-8)5-6-13/h8,13H,2-7H2,1H3
InChIKeyQBPVBXOEKZXDQL-UHFFFAOYSA-N
XLogP1.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3S)-3-(1,1-difluoroethyl)piperidin-1-yl]ethanamine
CID 129499448
3-[3-(1,1-difluoroethyl)piperidin-1-yl]propanoic acid
CID 121202511
1-(2-azidoethyl)-3-(1,1-difluoroethyl)piperidine
CID 121202516
1-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)piperidine
CID 126855058
(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 58573528
2-(3-aminopiperidin-1-yl)ethanol
CID 61296854
2-[1-(2-fluoroethyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197467
2-(1-ethylpiperidin-3-yl)-1,1,1-trifluoropropan-2-ol
CID 83982971
2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
CID 81080501
3,3-difluoro-3-(1-methylpiperidin-3-yl)propan-1-ol
CID 116841111
2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid
CID 83197238
N'-hydroxy-2,2-dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 77073400

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,1-difluoroethyl)piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-(1,1-difluoroethyl)piperidin-1-yl]ethanol (CID 121202515) is 2-[3-(1,1-difluoroethyl)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-(1,1-difluoroethyl)piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-(1,1-difluoroethyl)piperidin-1-yl]ethanol is CC(F)(F)C1CCCN(CCO)C1.
What is the InChIKey of 2-[3-(1,1-difluoroethyl)piperidin-1-yl]ethanol?
The InChIKey is QBPVBXOEKZXDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-9(10,11)8-3-2-4-12(7-8)5-6-13/h8,13H,2-7H2,1H3.
What are the key properties of 2-[3-(1,1-difluoroethyl)piperidin-1-yl]ethanol?
2-[3-(1,1-difluoroethyl)piperidin-1-yl]ethanol has a molecular weight of 193.24 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1-difluoroethyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 121202515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).