4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole

C10H14F2N2O — CID 164631095

IUPAC4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole
SMILESCn1cc(OC[C@H]2CCCC2(F)F)cn1
InChIInChI=1S/C10H14F2N2O/c1-14-6-9(5-13-14)15-7-8-3-2-4-10(8,11)12/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyGCJOFLKEUFCQSX-MRVPVSSYSA-N
MW216.23 g/mol
LogP2.23
Rot. Bonds3

About 4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole

4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole (PubChem CID 164631095) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole.

Molecular Properties

Compound Name4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole
PubChem CID164631095
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole
SMILESCn1cc(OC[C@H]2CCCC2(F)F)cn1
InChIInChI=1S/C10H14F2N2O/c1-14-6-9(5-13-14)15-7-8-3-2-4-10(8,11)12/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyGCJOFLKEUFCQSX-MRVPVSSYSA-N
XLogP2.23
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole?
The IUPAC name of 4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole (CID 164631095) is 4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole.
What is the SMILES notation for 4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole?
The canonical SMILES for 4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole is Cn1cc(OC[C@H]2CCCC2(F)F)cn1.
What is the InChIKey of 4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole?
The InChIKey is GCJOFLKEUFCQSX-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-14-6-9(5-13-14)15-7-8-3-2-4-10(8,11)12/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1.
What are the key properties of 4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole?
4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole has a molecular weight of 216.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-2,2-difluorocyclopentyl]methoxy]-1-methylpyrazole is sourced from PubChem (CID 164631095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).