5,5-difluoro-3,3-dimethyl-1-(1H-pyrazol-4-yl)pentan-1-ol

C10H16F2N2O — CID 165472284

IUPAC5,5-difluoro-3,3-dimethyl-1-(1H-pyrazol-4-yl)pentan-1-ol
SMILESCC(C)(CC(F)F)CC(O)c1cn[nH]c1
InChIInChI=1S/C10H16F2N2O/c1-10(2,4-9(11)12)3-8(15)7-5-13-14-6-7/h5-6,8-9,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyXWTLSNNKIOEYQL-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.51
Rot. Bonds5

About 5,5-difluoro-3,3-dimethyl-1-(1H-pyrazol-4-yl)pentan-1-ol

5,5-difluoro-3,3-dimethyl-1-(1H-pyrazol-4-yl)pentan-1-ol (PubChem CID 165472284) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 5,5-difluoro-3,3-dimethyl-1-(1H-pyrazol-4-yl)pentan-1-ol.

Molecular Properties

Compound Name5,5-difluoro-3,3-dimethyl-1-(1H-pyrazol-4-yl)pentan-1-ol
PubChem CID165472284
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name5,5-difluoro-3,3-dimethyl-1-(1H-pyrazol-4-yl)pentan-1-ol
SMILESCC(C)(CC(F)F)CC(O)c1cn[nH]c1
InChIInChI=1S/C10H16F2N2O/c1-10(2,4-9(11)12)3-8(15)7-5-13-14-6-7/h5-6,8-9,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyXWTLSNNKIOEYQL-UHFFFAOYSA-N
XLogP2.51
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-3,3-dimethyl-1-(1H-pyrazol-4-yl)pentan-1-ol?
The IUPAC name of 5,5-difluoro-3,3-dimethyl-1-(1H-pyrazol-4-yl)pentan-1-ol (CID 165472284) is 5,5-difluoro-3,3-dimethyl-1-(1H-pyrazol-4-yl)pentan-1-ol.
What is the SMILES notation for 5,5-difluoro-3,3-dimethyl-1-(1H-pyrazol-4-yl)pentan-1-ol?
The canonical SMILES for 5,5-difluoro-3,3-dimethyl-1-(1H-pyrazol-4-yl)pentan-1-ol is CC(C)(CC(F)F)CC(O)c1cn[nH]c1.
What is the InChIKey of 5,5-difluoro-3,3-dimethyl-1-(1H-pyrazol-4-yl)pentan-1-ol?
The InChIKey is XWTLSNNKIOEYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-10(2,4-9(11)12)3-8(15)7-5-13-14-6-7/h5-6,8-9,15H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 5,5-difluoro-3,3-dimethyl-1-(1H-pyrazol-4-yl)pentan-1-ol?
5,5-difluoro-3,3-dimethyl-1-(1H-pyrazol-4-yl)pentan-1-ol has a molecular weight of 218.25 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-3,3-dimethyl-1-(1H-pyrazol-4-yl)pentan-1-ol is sourced from PubChem (CID 165472284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).