8-(difluoromethyl)-3-propan-2-yl-8-azaspiro[4.5]decane

C13H23F2N — CID 169125674

IUPAC8-(difluoromethyl)-3-propan-2-yl-8-azaspiro[4.5]decane
SMILESCC(C)C1CCC2(CCN(C(F)F)CC2)C1
InChIInChI=1S/C13H23F2N/c1-10(2)11-3-4-13(9-11)5-7-16(8-6-13)12(14)15/h10-12H,3-9H2,1-2H3
InChIKeyQHXVTUJCRCDRSB-UHFFFAOYSA-N
MW231.33 g/mol
LogP3.75
Rot. Bonds2

About 8-(difluoromethyl)-3-propan-2-yl-8-azaspiro[4.5]decane

8-(difluoromethyl)-3-propan-2-yl-8-azaspiro[4.5]decane (PubChem CID 169125674) has the molecular formula C13H23F2N and a molecular weight of 231.33 g/mol. Its IUPAC name is 8-(difluoromethyl)-3-propan-2-yl-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(difluoromethyl)-3-propan-2-yl-8-azaspiro[4.5]decane
PubChem CID169125674
Molecular FormulaC13H23F2N
Molecular Weight231.33 g/mol
Exact Mass231.18
IUPAC Name8-(difluoromethyl)-3-propan-2-yl-8-azaspiro[4.5]decane
SMILESCC(C)C1CCC2(CCN(C(F)F)CC2)C1
InChIInChI=1S/C13H23F2N/c1-10(2)11-3-4-13(9-11)5-7-16(8-6-13)12(14)15/h10-12H,3-9H2,1-2H3
InChIKeyQHXVTUJCRCDRSB-UHFFFAOYSA-N
XLogP3.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,9-di(propan-2-yl)-3-azaspiro[5.5]undecane;ethane
CID 154680928
(6R)-2,6-di(propan-2-yl)-2-azaspiro[3.4]octane
CID 167272832
8-methyl-3-[4-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)butan-2-yl]-8-azaspiro[4.5]decane
CID 170137918
2,8-di(propan-2-yl)-8-azaspiro[3.6]decane
CID 170522762
7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane
CID 89399793
8-methyl-3-propan-2-yl-9-[2-[(7R)-spiro[3.4]octan-7-yl]propyl]-8-azaspiro[4.5]decane
CID 169125634
7-iodo-2-propan-2-yl-7-azaspiro[3.5]nonane
CID 155006151
N,N-dimethyl-7-propan-2-ylspiro[3.4]octane-2-carboxamide
CID 71244330
1-fluoro-1-methyl-3-propan-2-ylcyclopentane
CID 118410768
3-methyl-8-propan-2-yl-2-azaspiro[4.4]nonane
CID 170754482
7-propan-2-yl-2-(3-propan-2-ylpiperidin-1-yl)-7-azaspiro[3.5]nonane
CID 167091313
3-(azetidin-3-ylmethyl)-9-propan-2-yl-3-azaspiro[5.5]undecane
CID 176984971

Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethyl)-3-propan-2-yl-8-azaspiro[4.5]decane?
The IUPAC name of 8-(difluoromethyl)-3-propan-2-yl-8-azaspiro[4.5]decane (CID 169125674) is 8-(difluoromethyl)-3-propan-2-yl-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(difluoromethyl)-3-propan-2-yl-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(difluoromethyl)-3-propan-2-yl-8-azaspiro[4.5]decane is CC(C)C1CCC2(CCN(C(F)F)CC2)C1.
What is the InChIKey of 8-(difluoromethyl)-3-propan-2-yl-8-azaspiro[4.5]decane?
The InChIKey is QHXVTUJCRCDRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2N/c1-10(2)11-3-4-13(9-11)5-7-16(8-6-13)12(14)15/h10-12H,3-9H2,1-2H3.
What are the key properties of 8-(difluoromethyl)-3-propan-2-yl-8-azaspiro[4.5]decane?
8-(difluoromethyl)-3-propan-2-yl-8-azaspiro[4.5]decane has a molecular weight of 231.33 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethyl)-3-propan-2-yl-8-azaspiro[4.5]decane is sourced from PubChem (CID 169125674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).