2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol

C13H23F2NO2 — CID 106176373

IUPAC2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol
SMILESOCC(F)(F)CNC1CCOC2(CCCCC2)C1
InChIInChI=1S/C13H23F2NO2/c14-13(15,10-17)9-16-11-4-7-18-12(8-11)5-2-1-3-6-12/h11,16-17H,1-10H2
InChIKeyWJTMJTZPHGWTLS-UHFFFAOYSA-N
MW263.33 g/mol
LogP2.09
Rot. Bonds4

About 2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol

2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol (PubChem CID 106176373) has the molecular formula C13H23F2NO2 and a molecular weight of 263.33 g/mol. Its IUPAC name is 2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol
PubChem CID106176373
Molecular FormulaC13H23F2NO2
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Name2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol
SMILESOCC(F)(F)CNC1CCOC2(CCCCC2)C1
InChIInChI=1S/C13H23F2NO2/c14-13(15,10-17)9-16-11-4-7-18-12(8-11)5-2-1-3-6-12/h11,16-17H,1-10H2
InChIKeyWJTMJTZPHGWTLS-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-3-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)propan-1-ol
CID 106176597
N-(2,2,3,3-tetrafluoropropyl)-6-oxaspiro[4.5]decan-9-amine
CID 106291931
4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-ylamino)pentan-1-ol
CID 106147150
[1-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]cyclohexyl]methanol
CID 103966384
2-methyl-1-methylsulfanyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-2-ol
CID 106247069
[1-[(5-oxaspiro[3.5]nonan-8-ylamino)methyl]cyclohexyl]methanol
CID 103966489
N-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine
CID 115519107
N-[2-(trifluoromethylsulfanyl)ethyl]-6-oxaspiro[4.5]decan-9-amine
CID 114187750
2-ethyl-2-(6-oxaspiro[4.5]decan-9-ylamino)butan-1-ol
CID 79904025
N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine
CID 114616860
N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903273
[4-[(1-oxaspiro[5.5]undecan-4-ylamino)methyl]phenyl]methanol
CID 107230893

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol (CID 106176373) is 2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol is OCC(F)(F)CNC1CCOC2(CCCCC2)C1.
What is the InChIKey of 2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol?
The InChIKey is WJTMJTZPHGWTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO2/c14-13(15,10-17)9-16-11-4-7-18-12(8-11)5-2-1-3-6-12/h11,16-17H,1-10H2.
What are the key properties of 2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol?
2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol has a molecular weight of 263.33 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol is sourced from PubChem (CID 106176373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).