2,2-difluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol

C10H19F2NO — CID 129298365

IUPAC2,2-difluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol
SMILESCC(C)N1CCC(C(O)C(F)F)CC1
InChIInChI=1S/C10H19F2NO/c1-7(2)13-5-3-8(4-6-13)9(14)10(11)12/h7-10,14H,3-6H2,1-2H3
InChIKeyKFMVDUPOBRSHCJ-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.73
Rot. Bonds3

About 2,2-difluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol

2,2-difluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol (PubChem CID 129298365) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 2,2-difluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol
PubChem CID129298365
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name2,2-difluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol
SMILESCC(C)N1CCC(C(O)C(F)F)CC1
InChIInChI=1S/C10H19F2NO/c1-7(2)13-5-3-8(4-6-13)9(14)10(11)12/h7-10,14H,3-6H2,1-2H3
InChIKeyKFMVDUPOBRSHCJ-UHFFFAOYSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol?
The IUPAC name of 2,2-difluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol (CID 129298365) is 2,2-difluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol?
The canonical SMILES for 2,2-difluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol is CC(C)N1CCC(C(O)C(F)F)CC1.
What is the InChIKey of 2,2-difluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol?
The InChIKey is KFMVDUPOBRSHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-7(2)13-5-3-8(4-6-13)9(14)10(11)12/h7-10,14H,3-6H2,1-2H3.
What are the key properties of 2,2-difluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol?
2,2-difluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol has a molecular weight of 207.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(1-propan-2-ylpiperidin-4-yl)ethanol is sourced from PubChem (CID 129298365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).