10-[2,2-difluorobutyl(methyl)amino]spiro[4.5]decan-8-ol

C15H27F2NO — CID 165496844

IUPAC10-[2,2-difluorobutyl(methyl)amino]spiro[4.5]decan-8-ol
SMILESCCC(F)(F)CN(C)C1CC(O)CCC12CCCC2
InChIInChI=1S/C15H27F2NO/c1-3-15(16,17)11-18(2)13-10-12(19)6-9-14(13)7-4-5-8-14/h12-13,19H,3-11H2,1-2H3
InChIKeyDVOSFRPTARFSGS-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.44
Rot. Bonds4

About 10-[2,2-difluorobutyl(methyl)amino]spiro[4.5]decan-8-ol

10-[2,2-difluorobutyl(methyl)amino]spiro[4.5]decan-8-ol (PubChem CID 165496844) has the molecular formula C15H27F2NO and a molecular weight of 275.38 g/mol. Its IUPAC name is 10-[2,2-difluorobutyl(methyl)amino]spiro[4.5]decan-8-ol.

Molecular Properties

Compound Name10-[2,2-difluorobutyl(methyl)amino]spiro[4.5]decan-8-ol
PubChem CID165496844
Molecular FormulaC15H27F2NO
Molecular Weight275.38 g/mol
Exact Mass275.21
IUPAC Name10-[2,2-difluorobutyl(methyl)amino]spiro[4.5]decan-8-ol
SMILESCCC(F)(F)CN(C)C1CC(O)CCC12CCCC2
InChIInChI=1S/C15H27F2NO/c1-3-15(16,17)11-18(2)13-10-12(19)6-9-14(13)7-4-5-8-14/h12-13,19H,3-11H2,1-2H3
InChIKeyDVOSFRPTARFSGS-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[Tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490683
3-[Cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490687
3-[Cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490688
3-[Methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490689
3-[Cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490691
3-[Methyl(2-methylbutan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490692
3-[(Propan-2-yl)(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490693
3-[(3-Methoxypropyl)(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490694
3-(4,4-Dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490696
3-[Cyclopropyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490697
3-[Tert-butyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490700
3-[(2,2-Difluoroethyl)(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490701

Frequently Asked Questions

What is the IUPAC name of 10-[2,2-difluorobutyl(methyl)amino]spiro[4.5]decan-8-ol?
The IUPAC name of 10-[2,2-difluorobutyl(methyl)amino]spiro[4.5]decan-8-ol (CID 165496844) is 10-[2,2-difluorobutyl(methyl)amino]spiro[4.5]decan-8-ol.
What is the SMILES notation for 10-[2,2-difluorobutyl(methyl)amino]spiro[4.5]decan-8-ol?
The canonical SMILES for 10-[2,2-difluorobutyl(methyl)amino]spiro[4.5]decan-8-ol is CCC(F)(F)CN(C)C1CC(O)CCC12CCCC2.
What is the InChIKey of 10-[2,2-difluorobutyl(methyl)amino]spiro[4.5]decan-8-ol?
The InChIKey is DVOSFRPTARFSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2NO/c1-3-15(16,17)11-18(2)13-10-12(19)6-9-14(13)7-4-5-8-14/h12-13,19H,3-11H2,1-2H3.
What are the key properties of 10-[2,2-difluorobutyl(methyl)amino]spiro[4.5]decan-8-ol?
10-[2,2-difluorobutyl(methyl)amino]spiro[4.5]decan-8-ol has a molecular weight of 275.38 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2,2-difluorobutyl(methyl)amino]spiro[4.5]decan-8-ol is sourced from PubChem (CID 165496844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).