3,3-difluorobicyclo[3.1.0]hexane;ethane;methane;3-methyl-1-propan-2-ylpyrazole

C18H36F2N2 — CID 144866334

IUPAC3,3-difluorobicyclo[3.1.0]hexane;ethane;methane;3-methyl-1-propan-2-ylpyrazole
SMILESC.CC.CC.Cc1ccn(C(C)C)n1.FC1(F)CC2CC2C1
InChIInChI=1S/C7H12N2.C6H8F2.2C2H6.CH4/c1-6(2)9-5-4-7(3)8-9;7-6(8)2-4-1-5(4)3-6;2*1-2;/h4-6H,1-3H3;4-5H,1-3H2;2*1-2H3;1H4
InChIKeyYDCXNBKBOBIJCL-UHFFFAOYSA-N
MW318.50 g/mol
LogP6.51
Rot. Bonds1

About 3,3-difluorobicyclo[3.1.0]hexane;ethane;methane;3-methyl-1-propan-2-ylpyrazole

3,3-difluorobicyclo[3.1.0]hexane;ethane;methane;3-methyl-1-propan-2-ylpyrazole (PubChem CID 144866334) has the molecular formula C18H36F2N2 and a molecular weight of 318.50 g/mol. Its IUPAC name is 3,3-difluorobicyclo[3.1.0]hexane;ethane;methane;3-methyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3,3-difluorobicyclo[3.1.0]hexane;ethane;methane;3-methyl-1-propan-2-ylpyrazole
PubChem CID144866334
Molecular FormulaC18H36F2N2
Molecular Weight318.50 g/mol
Exact Mass318.28
IUPAC Name3,3-difluorobicyclo[3.1.0]hexane;ethane;methane;3-methyl-1-propan-2-ylpyrazole
SMILESC.CC.CC.Cc1ccn(C(C)C)n1.FC1(F)CC2CC2C1
InChIInChI=1S/C7H12N2.C6H8F2.2C2H6.CH4/c1-6(2)9-5-4-7(3)8-9;7-6(8)2-4-1-5(4)3-6;2*1-2;/h4-6H,1-3H3;4-5H,1-3H2;2*1-2H3;1H4
InChIKeyYDCXNBKBOBIJCL-UHFFFAOYSA-N
XLogP6.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,3-difluorobicyclo[3.1.0]hexane;ethane;methane;3-methyl-1-propan-2-ylpyrazole with MolForge

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Related Compounds

1-Cyclopentyl-3-(trifluoromethyl)pyrazole
CID 66016918
1-Cyclohexyl-3-(trifluoromethyl)pyrazole
CID 57780455
1-Isobutyl-3-trifluoromethyl-1H-pyrazole
CID 58981713
1-(4,4-Dimethylpentyl)-3-(trifluoromethyl)pyrazole
CID 59407463
3-(Difluoromethyl)-1-(2-methylpropyl)pyrazole
CID 66013935
1-Cyclohexyl-3-(difluoromethyl)pyrazole
CID 66014336
1-(Cyclohexylmethyl)-3-(trifluoromethyl)pyrazole
CID 70919594
1-(4,4-Difluorocyclohexyl)-5-methylpyrazole
CID 84733747
1-(3-Cyclopentylpropyl)-3-(trifluoromethyl)pyrazole
CID 91197270
1-(Cyclopropylmethyl)-3-(trifluoromethyl)pyrazole
CID 115701750
5-(Difluoromethyl)-1-(2-methylpropyl)pyrazole
CID 123300082
1-(3-Methylbutan-2-yl)-3-(trifluoromethyl)pyrazole
CID 130713276

Frequently Asked Questions

What is the IUPAC name of 3,3-difluorobicyclo[3.1.0]hexane;ethane;methane;3-methyl-1-propan-2-ylpyrazole?
The IUPAC name of 3,3-difluorobicyclo[3.1.0]hexane;ethane;methane;3-methyl-1-propan-2-ylpyrazole (CID 144866334) is 3,3-difluorobicyclo[3.1.0]hexane;ethane;methane;3-methyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 3,3-difluorobicyclo[3.1.0]hexane;ethane;methane;3-methyl-1-propan-2-ylpyrazole?
The canonical SMILES for 3,3-difluorobicyclo[3.1.0]hexane;ethane;methane;3-methyl-1-propan-2-ylpyrazole is C.CC.CC.Cc1ccn(C(C)C)n1.FC1(F)CC2CC2C1.
What is the InChIKey of 3,3-difluorobicyclo[3.1.0]hexane;ethane;methane;3-methyl-1-propan-2-ylpyrazole?
The InChIKey is YDCXNBKBOBIJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C6H8F2.2C2H6.CH4/c1-6(2)9-5-4-7(3)8-9;7-6(8)2-4-1-5(4)3-6;2*1-2;/h4-6H,1-3H3;4-5H,1-3H2;2*1-2H3;1H4.
What are the key properties of 3,3-difluorobicyclo[3.1.0]hexane;ethane;methane;3-methyl-1-propan-2-ylpyrazole?
3,3-difluorobicyclo[3.1.0]hexane;ethane;methane;3-methyl-1-propan-2-ylpyrazole has a molecular weight of 318.50 g/mol, XLogP of 6.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorobicyclo[3.1.0]hexane;ethane;methane;3-methyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 144866334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).