3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole

C11H16F2N2O — CID 90162054

IUPAC3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
SMILESCC(C)n1nc(C(C)(F)F)c2c1COCC2
InChIInChI=1S/C11H16F2N2O/c1-7(2)15-9-6-16-5-4-8(9)10(14-15)11(3,12)13/h7H,4-6H2,1-3H3
InChIKeyRFOYTDVWLHHGSE-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.65
Rot. Bonds2

About 3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole

3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole (PubChem CID 90162054) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
PubChem CID90162054
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole
SMILESCC(C)n1nc(C(C)(F)F)c2c1COCC2
InChIInChI=1S/C11H16F2N2O/c1-7(2)15-9-6-16-5-4-8(9)10(14-15)11(3,12)13/h7H,4-6H2,1-3H3
InChIKeyRFOYTDVWLHHGSE-UHFFFAOYSA-N
XLogP2.65
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole with MolForge

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Related Compounds

2-[3-(trifluoromethyl)-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-1-yl]acetic acid
CID 66875002
5-ethyl-3-(methoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97405713
2-[3-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanol
CID 97519885
(1-methyl-1H,4H,6H,7H-pyrano(4,3-c)pyrazol-3-yl)methanamine hydrochloride
CID 138991108
{1-methyl-1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}methanol
CID 154814434
1-methyl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
CID 71204337
2-(3-(trifluoromethyl)-4,5-dihydropyrano[3,4-c]pyrazol-1(7H)-yl)acetic acid
CID 86719768
3-(1-ethoxyethenyl)-6,6-dimethyl-1-(2,2,2-trifluoroethyl)-5,7-dihydro-4H-indazole
CID 89062194
1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
CID 90162028
7-methyl-1-propan-2-yl-3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazole
CID 90162029
3-(1,1-difluoroethyl)-1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 90162053
3-(1,1-Difluoroethyl)-5-(methoxymethyl)-1-propan-2-ylpyrazole
CID 90162097

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The IUPAC name of 3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole (CID 90162054) is 3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole is CC(C)n1nc(C(C)(F)F)c2c1COCC2.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
The InChIKey is RFOYTDVWLHHGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-7(2)15-9-6-16-5-4-8(9)10(14-15)11(3,12)13/h7H,4-6H2,1-3H3.
What are the key properties of 3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole?
3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole has a molecular weight of 230.26 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-1-propan-2-yl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole is sourced from PubChem (CID 90162054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).