(2R)-5,5-difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol

C10H14F2N2O — CID 122657903

IUPAC(2R)-5,5-difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol
SMILESCn1nccc1[C@H]1CCC(F)(F)CC1O
InChIInChI=1S/C10H14F2N2O/c1-14-8(3-5-13-14)7-2-4-10(11,12)6-9(7)15/h3,5,7,9,15H,2,4,6H2,1H3/t7-,9?/m1/s1
InChIKeyZBCYOOAZKAVNCM-YOXFSPIKSA-N
MW216.23 g/mol
LogP1.68
Rot. Bonds1

About (2R)-5,5-difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol

(2R)-5,5-difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol (PubChem CID 122657903) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is (2R)-5,5-difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name(2R)-5,5-difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol
PubChem CID122657903
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name(2R)-5,5-difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol
SMILESCn1nccc1[C@H]1CCC(F)(F)CC1O
InChIInChI=1S/C10H14F2N2O/c1-14-8(3-5-13-14)7-2-4-10(11,12)6-9(7)15/h3,5,7,9,15H,2,4,6H2,1H3/t7-,9?/m1/s1
InChIKeyZBCYOOAZKAVNCM-YOXFSPIKSA-N
XLogP1.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-5,5-difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol?
The IUPAC name of (2R)-5,5-difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol (CID 122657903) is (2R)-5,5-difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol.
What is the SMILES notation for (2R)-5,5-difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol?
The canonical SMILES for (2R)-5,5-difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol is Cn1nccc1[C@H]1CCC(F)(F)CC1O.
What is the InChIKey of (2R)-5,5-difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol?
The InChIKey is ZBCYOOAZKAVNCM-YOXFSPIKSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-14-8(3-5-13-14)7-2-4-10(11,12)6-9(7)15/h3,5,7,9,15H,2,4,6H2,1H3/t7-,9?/m1/s1.
What are the key properties of (2R)-5,5-difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol?
(2R)-5,5-difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol has a molecular weight of 216.23 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,5-difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol is sourced from PubChem (CID 122657903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).