3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine

C15H27F2NO2 — CID 103148924

IUPAC3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
SMILESNC(CCOCC(F)F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H27F2NO2/c16-14(17)11-19-8-5-13(18)12-4-9-20-15(10-12)6-2-1-3-7-15/h12-14H,1-11,18H2
InChIKeyXQLPDCOHRBQYMT-UHFFFAOYSA-N
MW291.38 g/mol
LogP3.12
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine

3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine (PubChem CID 103148924) has the molecular formula C15H27F2NO2 and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
PubChem CID103148924
Molecular FormulaC15H27F2NO2
Molecular Weight291.38 g/mol
Exact Mass291.20
IUPAC Name3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
SMILESNC(CCOCC(F)F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H27F2NO2/c16-14(17)11-19-8-5-13(18)12-4-9-20-15(10-12)6-2-1-3-7-15/h12-14H,1-11,18H2
InChIKeyXQLPDCOHRBQYMT-UHFFFAOYSA-N
XLogP3.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Oxaspiro(5.5)undecan-4-amine
CID 64106253
1,1-Difluoro-6-oxaspiro[4.5]decan-9-amine hydrochloride
CID 169785543
9,9-Difluoro-1-oxaspiro[5.5]undecan-4-amine hydrochloride
CID 165948659
1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
6-[4-(Difluoromethyl)cyclohexyl]oxan-3-amine
CID 70843048
(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine
CID 134353026
4,4-Difluoro-6-oxaspiro[4.5]decan-9-amine
CID 168891874
1-(3-Methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094197
1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095682
9-(Trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 64756955
N-methyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 64756956
10-(Trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
CID 64758459

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine (CID 103148924) is 3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine is NC(CCOCC(F)F)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine?
The InChIKey is XQLPDCOHRBQYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2NO2/c16-14(17)11-19-8-5-13(18)12-4-9-20-15(10-12)6-2-1-3-7-15/h12-14H,1-11,18H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine?
3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine has a molecular weight of 291.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine is sourced from PubChem (CID 103148924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).