1-[2-(difluoromethylidene)spiro[1,3,5,6-tetrahydropyrrolizine-7,1'-cyclopropane]-8-yl]-2-methylpropane-1,1-diol

C14H21F2NO2 — CID 176951434

IUPAC1-[2-(difluoromethylidene)spiro[1,3,5,6-tetrahydropyrrolizine-7,1'-cyclopropane]-8-yl]-2-methylpropane-1,1-diol
SMILESCC(C)C(O)(O)C12CC(=C(F)F)CN1CCC21CC1
InChIInChI=1S/C14H21F2NO2/c1-9(2)14(18,19)13-7-10(11(15)16)8-17(13)6-5-12(13)3-4-12/h9,18-19H,3-8H2,1-2H3
InChIKeyUDSWDWOLMUPIAX-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.10
Rot. Bonds2

About 1-[2-(difluoromethylidene)spiro[1,3,5,6-tetrahydropyrrolizine-7,1'-cyclopropane]-8-yl]-2-methylpropane-1,1-diol

1-[2-(difluoromethylidene)spiro[1,3,5,6-tetrahydropyrrolizine-7,1'-cyclopropane]-8-yl]-2-methylpropane-1,1-diol (PubChem CID 176951434) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-[2-(difluoromethylidene)spiro[1,3,5,6-tetrahydropyrrolizine-7,1'-cyclopropane]-8-yl]-2-methylpropane-1,1-diol.

Molecular Properties

Compound Name1-[2-(difluoromethylidene)spiro[1,3,5,6-tetrahydropyrrolizine-7,1'-cyclopropane]-8-yl]-2-methylpropane-1,1-diol
PubChem CID176951434
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name1-[2-(difluoromethylidene)spiro[1,3,5,6-tetrahydropyrrolizine-7,1'-cyclopropane]-8-yl]-2-methylpropane-1,1-diol
SMILESCC(C)C(O)(O)C12CC(=C(F)F)CN1CCC21CC1
InChIInChI=1S/C14H21F2NO2/c1-9(2)14(18,19)13-7-10(11(15)16)8-17(13)6-5-12(13)3-4-12/h9,18-19H,3-8H2,1-2H3
InChIKeyUDSWDWOLMUPIAX-UHFFFAOYSA-N
XLogP2.10
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[2-(difluoromethylidene)spiro[1,3,5,6-tetrahydropyrrolizine-7,1'-cyclopropane]-8-yl]-2-methylpropane-1,1-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8R)-8-(1,1-dideuterio-2-methylpropyl)-6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 176776323
(8S)-8-(1,1-dideuterio-2-methylpropyl)-6-(difluoromethylidene)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 176776385
(6Z,8R)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 176776736
(8R)-5,5-dideuterio-6-(difluoromethylidene)-8-(2-methylpropyl)-1,2,3,7-tetrahydropyrrolizine
CID 176776328
(4Z)-4-(2,2-difluoroethylidene)-1-methyl-2-(propan-2-yloxymethyl)-2-propylpyrrolidine;6-(difluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164922209
4-(difluoromethylidene)-1,2-dimethylpiperidine
CID 170772159
CID 176951009
CID 176951009
(4R)-5-[(2,2-difluorocyclopropyl)methyl]-4-(1,1-dihydroxy-2-methylpropyl)-4-methyl-5-azaspiro[2.4]heptane-6,6-diol;ethane
CID 176950960
(6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163614751
3-(propan-2-ylamino)-1-[1-(trifluoromethyl)cyclopropyl]piperidin-2-one
CID 106211601
CID 176776495
CID 176776495
CID 176776097
CID 176776097

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethylidene)spiro[1,3,5,6-tetrahydropyrrolizine-7,1'-cyclopropane]-8-yl]-2-methylpropane-1,1-diol?
The IUPAC name of 1-[2-(difluoromethylidene)spiro[1,3,5,6-tetrahydropyrrolizine-7,1'-cyclopropane]-8-yl]-2-methylpropane-1,1-diol (CID 176951434) is 1-[2-(difluoromethylidene)spiro[1,3,5,6-tetrahydropyrrolizine-7,1'-cyclopropane]-8-yl]-2-methylpropane-1,1-diol.
What is the SMILES notation for 1-[2-(difluoromethylidene)spiro[1,3,5,6-tetrahydropyrrolizine-7,1'-cyclopropane]-8-yl]-2-methylpropane-1,1-diol?
The canonical SMILES for 1-[2-(difluoromethylidene)spiro[1,3,5,6-tetrahydropyrrolizine-7,1'-cyclopropane]-8-yl]-2-methylpropane-1,1-diol is CC(C)C(O)(O)C12CC(=C(F)F)CN1CCC21CC1.
What is the InChIKey of 1-[2-(difluoromethylidene)spiro[1,3,5,6-tetrahydropyrrolizine-7,1'-cyclopropane]-8-yl]-2-methylpropane-1,1-diol?
The InChIKey is UDSWDWOLMUPIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-9(2)14(18,19)13-7-10(11(15)16)8-17(13)6-5-12(13)3-4-12/h9,18-19H,3-8H2,1-2H3.
What are the key properties of 1-[2-(difluoromethylidene)spiro[1,3,5,6-tetrahydropyrrolizine-7,1'-cyclopropane]-8-yl]-2-methylpropane-1,1-diol?
1-[2-(difluoromethylidene)spiro[1,3,5,6-tetrahydropyrrolizine-7,1'-cyclopropane]-8-yl]-2-methylpropane-1,1-diol has a molecular weight of 273.32 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethylidene)spiro[1,3,5,6-tetrahydropyrrolizine-7,1'-cyclopropane]-8-yl]-2-methylpropane-1,1-diol is sourced from PubChem (CID 176951434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).