3-(2-azaspiro[3.3]heptan-2-yl)-2,2-difluoropropan-1-ol

C9H15F2NO — CID 106172591

IUPAC3-(2-azaspiro[3.3]heptan-2-yl)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CN1CC2(CCC2)C1
InChIInChI=1S/C9H15F2NO/c10-9(11,7-13)6-12-4-8(5-12)2-1-3-8/h13H,1-7H2
InChIKeyJTMMMSSUSIGQGZ-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.10
Rot. Bonds3

About 3-(2-azaspiro[3.3]heptan-2-yl)-2,2-difluoropropan-1-ol

3-(2-azaspiro[3.3]heptan-2-yl)-2,2-difluoropropan-1-ol (PubChem CID 106172591) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 3-(2-azaspiro[3.3]heptan-2-yl)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(2-azaspiro[3.3]heptan-2-yl)-2,2-difluoropropan-1-ol
PubChem CID106172591
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name3-(2-azaspiro[3.3]heptan-2-yl)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CN1CC2(CCC2)C1
InChIInChI=1S/C9H15F2NO/c10-9(11,7-13)6-12-4-8(5-12)2-1-3-8/h13H,1-7H2
InChIKeyJTMMMSSUSIGQGZ-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-azaspiro[3.3]heptan-2-yl)-2-methylpropane-1,2-diol
CID 104550414
2-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane
CID 90140966
3-(2-azaspiro[3.3]heptan-2-ylmethyl)pentan-3-amine
CID 115306385
3-(5-azaspiro[2.3]hexan-5-yl)-2,2-dimethylpropan-1-ol
CID 104550659
2-ethyl-2-azaspiro[3.3]heptane
CID 130337259
2-(2-azaspiro[3.3]heptan-2-yl)ethanamine
CID 55289039
2,2-difluoro-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
CID 174183157
2-fluoro-2-(spiro[3.3]heptan-2-ylmethyl)propane-1,3-diol
CID 122240288
[1-(2-azaspiro[3.6]decan-2-ylmethyl)cyclopentyl]methanol
CID 104550634
2-(2-methylpropyl)-2-azaspiro[3.3]heptane
CID 118300646
2-(2-azaspiro[3.4]octan-2-yl)-2-ethylpropane-1,3-diol
CID 107866921
2-butyl-2-azaspiro[3.3]heptane
CID 170365296

Frequently Asked Questions

What is the IUPAC name of 3-(2-azaspiro[3.3]heptan-2-yl)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(2-azaspiro[3.3]heptan-2-yl)-2,2-difluoropropan-1-ol (CID 106172591) is 3-(2-azaspiro[3.3]heptan-2-yl)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(2-azaspiro[3.3]heptan-2-yl)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(2-azaspiro[3.3]heptan-2-yl)-2,2-difluoropropan-1-ol is OCC(F)(F)CN1CC2(CCC2)C1.
What is the InChIKey of 3-(2-azaspiro[3.3]heptan-2-yl)-2,2-difluoropropan-1-ol?
The InChIKey is JTMMMSSUSIGQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c10-9(11,7-13)6-12-4-8(5-12)2-1-3-8/h13H,1-7H2.
What are the key properties of 3-(2-azaspiro[3.3]heptan-2-yl)-2,2-difluoropropan-1-ol?
3-(2-azaspiro[3.3]heptan-2-yl)-2,2-difluoropropan-1-ol has a molecular weight of 191.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azaspiro[3.3]heptan-2-yl)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106172591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).