3-[5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol

C11H9ClF10N2O — CID 10047203

IUPAC3-[5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol
SMILESOCCCc1cn[nH]c1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C11H9ClF10N2O/c12-11(21,22)10(19,20)9(17,18)8(15,16)7(13,14)6-5(2-1-3-25)4-23-24-6/h4,25H,1-3H2,(H,23,24)
InChIKeySLVNBFYXKOYKHN-UHFFFAOYSA-N
MW410.64 g/mol
LogP4.16
Rot. Bonds8

About 3-[5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol

3-[5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol (PubChem CID 10047203) has the molecular formula C11H9ClF10N2O and a molecular weight of 410.64 g/mol. Its IUPAC name is 3-[5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol
PubChem CID10047203
Molecular FormulaC11H9ClF10N2O
Molecular Weight410.64 g/mol
Exact Mass410.02
IUPAC Name3-[5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol
SMILESOCCCc1cn[nH]c1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C11H9ClF10N2O/c12-11(21,22)10(19,20)9(17,18)8(15,16)7(13,14)6-5(2-1-3-25)4-23-24-6/h4,25H,1-3H2,(H,23,24)
InChIKeySLVNBFYXKOYKHN-UHFFFAOYSA-N
XLogP4.16
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.64
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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3-(3-Undecafluoropentyl-1H-pyrazol-4-yl)-propan-1-ol
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CID 11744464
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methyl 3-(3-(trifluoromethyl)-1H-pyrazol-4-yl)propanimidate
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1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]decan-5-ol
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2-amino-3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
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2,2-dimethyl-3-[3-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol?
The IUPAC name of 3-[5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol (CID 10047203) is 3-[5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol is OCCCc1cn[nH]c1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 3-[5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol?
The InChIKey is SLVNBFYXKOYKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF10N2O/c12-11(21,22)10(19,20)9(17,18)8(15,16)7(13,14)6-5(2-1-3-25)4-23-24-6/h4,25H,1-3H2,(H,23,24).
What are the key properties of 3-[5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol?
3-[5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol has a molecular weight of 410.64 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-1H-pyrazol-4-yl]propan-1-ol is sourced from PubChem (CID 10047203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).