1-(difluoromethyl)-4-[(2R)-oxan-2-yl]pyrazole

C9H12F2N2O — CID 166123020

IUPAC1-(difluoromethyl)-4-[(2R)-oxan-2-yl]pyrazole
SMILESFC(F)n1cc([C@H]2CCCCO2)cn1
InChIInChI=1S/C9H12F2N2O/c10-9(11)13-6-7(5-12-13)8-3-1-2-4-14-8/h5-6,8-9H,1-4H2/t8-/m1/s1
InChIKeyMKEVHALZFGJDGZ-MRVPVSSYSA-N
MW202.20 g/mol
LogP2.52
Rot. Bonds2

About 1-(difluoromethyl)-4-[(2R)-oxan-2-yl]pyrazole

1-(difluoromethyl)-4-[(2R)-oxan-2-yl]pyrazole (PubChem CID 166123020) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-[(2R)-oxan-2-yl]pyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4-[(2R)-oxan-2-yl]pyrazole
PubChem CID166123020
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name1-(difluoromethyl)-4-[(2R)-oxan-2-yl]pyrazole
SMILESFC(F)n1cc([C@H]2CCCCO2)cn1
InChIInChI=1S/C9H12F2N2O/c10-9(11)13-6-7(5-12-13)8-3-1-2-4-14-8/h5-6,8-9H,1-4H2/t8-/m1/s1
InChIKeyMKEVHALZFGJDGZ-MRVPVSSYSA-N
XLogP2.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-[(2R)-oxan-2-yl]pyrazole?
The IUPAC name of 1-(difluoromethyl)-4-[(2R)-oxan-2-yl]pyrazole (CID 166123020) is 1-(difluoromethyl)-4-[(2R)-oxan-2-yl]pyrazole.
What is the SMILES notation for 1-(difluoromethyl)-4-[(2R)-oxan-2-yl]pyrazole?
The canonical SMILES for 1-(difluoromethyl)-4-[(2R)-oxan-2-yl]pyrazole is FC(F)n1cc([C@H]2CCCCO2)cn1.
What is the InChIKey of 1-(difluoromethyl)-4-[(2R)-oxan-2-yl]pyrazole?
The InChIKey is MKEVHALZFGJDGZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c10-9(11)13-6-7(5-12-13)8-3-1-2-4-14-8/h5-6,8-9H,1-4H2/t8-/m1/s1.
What are the key properties of 1-(difluoromethyl)-4-[(2R)-oxan-2-yl]pyrazole?
1-(difluoromethyl)-4-[(2R)-oxan-2-yl]pyrazole has a molecular weight of 202.20 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-[(2R)-oxan-2-yl]pyrazole is sourced from PubChem (CID 166123020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).