2'',2''-Difluoro-8'-azadispiro[cyclobutane-1,2'-bicyclo[3.2.1]octane-3',1''-cyclopropane]

C12H17F2N — CID 155892788

IUPAC—
SMILESFC1(F)CC12CC1CCC(N1)C21CCC1
InChIInChI=1S/C12H17F2N/c13-12(14)7-11(12)6-8-2-3-9(15-8)10(11)4-1-5-10/h8-9,15H,1-7H2
InChIKeyCERFFXFGHDBCOC-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.71
Rot. Bonds

About 2'',2''-Difluoro-8'-azadispiro[cyclobutane-1,2'-bicyclo[3.2.1]octane-3',1''-cyclopropane]

2'',2''-Difluoro-8'-azadispiro[cyclobutane-1,2'-bicyclo[3.2.1]octane-3',1''-cyclopropane] (PubChem CID 155892788) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol.

Molecular Properties

Compound Name2'',2''-Difluoro-8'-azadispiro[cyclobutane-1,2'-bicyclo[3.2.1]octane-3',1''-cyclopropane]
PubChem CID155892788
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name—
SMILESFC1(F)CC12CC1CCC(N1)C21CCC1
InChIInChI=1S/C12H17F2N/c13-12(14)7-11(12)6-8-2-3-9(15-8)10(11)4-1-5-10/h8-9,15H,1-7H2
InChIKeyCERFFXFGHDBCOC-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2'',2''-Difluoro-8'-azadispiro[cyclobutane-1,2'-bicyclo[3.2.1]octane-3',1''-cyclopropane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2'',2''-Difluoro-8'-azadispiro[cyclobutane-1,2'-bicyclo[3.2.1]octane-3',1''-cyclopropane]?
The IUPAC name of 2'',2''-Difluoro-8'-azadispiro[cyclobutane-1,2'-bicyclo[3.2.1]octane-3',1''-cyclopropane] (CID 155892788) is not available.
What is the SMILES notation for 2'',2''-Difluoro-8'-azadispiro[cyclobutane-1,2'-bicyclo[3.2.1]octane-3',1''-cyclopropane]?
The canonical SMILES for 2'',2''-Difluoro-8'-azadispiro[cyclobutane-1,2'-bicyclo[3.2.1]octane-3',1''-cyclopropane] is FC1(F)CC12CC1CCC(N1)C21CCC1.
What is the InChIKey of 2'',2''-Difluoro-8'-azadispiro[cyclobutane-1,2'-bicyclo[3.2.1]octane-3',1''-cyclopropane]?
The InChIKey is CERFFXFGHDBCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c13-12(14)7-11(12)6-8-2-3-9(15-8)10(11)4-1-5-10/h8-9,15H,1-7H2.
What are the key properties of 2'',2''-Difluoro-8'-azadispiro[cyclobutane-1,2'-bicyclo[3.2.1]octane-3',1''-cyclopropane]?
2'',2''-Difluoro-8'-azadispiro[cyclobutane-1,2'-bicyclo[3.2.1]octane-3',1''-cyclopropane] has a molecular weight of 213.27 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'',2''-Difluoro-8'-azadispiro[cyclobutane-1,2'-bicyclo[3.2.1]octane-3',1''-cyclopropane] is sourced from PubChem (CID 155892788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).