1-(4,4-difluorocyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-ol

C13H20F2N2O — CID 103028069

IUPAC1-(4,4-difluorocyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCn1nccc1CCC(O)C1CCC(F)(F)CC1
InChIInChI=1S/C13H20F2N2O/c1-17-11(6-9-16-17)2-3-12(18)10-4-7-13(14,15)8-5-10/h6,9-10,12,18H,2-5,7-8H2,1H3
InChIKeyHLALYTBVLJVKNA-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.54
Rot. Bonds4

About 1-(4,4-difluorocyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-ol

1-(4,4-difluorocyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-ol (PubChem CID 103028069) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
PubChem CID103028069
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name1-(4,4-difluorocyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCn1nccc1CCC(O)C1CCC(F)(F)CC1
InChIInChI=1S/C13H20F2N2O/c1-17-11(6-9-16-17)2-3-12(18)10-4-7-13(14,15)8-5-10/h6,9-10,12,18H,2-5,7-8H2,1H3
InChIKeyHLALYTBVLJVKNA-UHFFFAOYSA-N
XLogP2.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-ol (CID 103028069) is 1-(4,4-difluorocyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-ol is Cn1nccc1CCC(O)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The InChIKey is HLALYTBVLJVKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-17-11(6-9-16-17)2-3-12(18)10-4-7-13(14,15)8-5-10/h6,9-10,12,18H,2-5,7-8H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
1-(4,4-difluorocyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-ol has a molecular weight of 258.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 103028069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).