1-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol

C10H14F4N2O2 — CID 103474078

IUPAC1-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
SMILESCn1ccc(CC(O)COCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H14F4N2O2/c1-16-3-2-7(15-16)4-8(17)5-18-6-10(13,14)9(11)12/h2-3,8-9,17H,4-6H2,1H3
InChIKeyGYLWFXGWAKSKGW-UHFFFAOYSA-N
MW270.23 g/mol
LogP1.24
Rot. Bonds7

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

1-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol (PubChem CID 103474078) has the molecular formula C10H14F4N2O2 and a molecular weight of 270.23 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
PubChem CID103474078
Molecular FormulaC10H14F4N2O2
Molecular Weight270.23 g/mol
Exact Mass270.10
IUPAC Name1-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
SMILESCn1ccc(CC(O)COCC(F)(F)C(F)F)n1
InChIInChI=1S/C10H14F4N2O2/c1-16-3-2-7(15-16)4-8(17)5-18-6-10(13,14)9(11)12/h2-3,8-9,17H,4-6H2,1H3
InChIKeyGYLWFXGWAKSKGW-UHFFFAOYSA-N
XLogP1.24
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474059
N-methyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475642
N-ethyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475844
1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474191
2-fluoro-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 112562653
1-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474045
1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474152
1-(5-bromo-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473973
1-(2-methylpropylamino)-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82871126
1-(2-bromo-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474046
1-(2-chloro-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473957
4,4,4-trifluoro-1-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312218

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol (CID 103474078) is 1-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol is Cn1ccc(CC(O)COCC(F)(F)C(F)F)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The InChIKey is GYLWFXGWAKSKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4N2O2/c1-16-3-2-7(15-16)4-8(17)5-18-6-10(13,14)9(11)12/h2-3,8-9,17H,4-6H2,1H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
1-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol has a molecular weight of 270.23 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol is sourced from PubChem (CID 103474078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).