4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine

C12H20F3NO — CID 79953913

IUPAC4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
SMILESNC(CCC(F)(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)6-2-10(16)9-3-7-17-11(8-9)4-1-5-11/h9-10H,1-8,16H2
InChIKeyOGGCGBGLEWIRQR-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.01
Rot. Bonds3

About 4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine

4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine (PubChem CID 79953913) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
PubChem CID79953913
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
SMILESNC(CCC(F)(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)6-2-10(16)9-3-7-17-11(8-9)4-1-5-11/h9-10H,1-8,16H2
InChIKeyOGGCGBGLEWIRQR-UHFFFAOYSA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-Difluoro-6-oxaspiro[4.5]decan-9-amine hydrochloride
CID 169785543
5-Oxaspiro(3.5)nonan-8-ylmethanamine hydrochloride
CID 121552697
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
3-(Trifluoromethyl)-1-oxaspiro[3.5]nonan-7-amine
CID 163294962
[3-(Trifluoromethyl)-1-oxaspiro[3.5]nonan-7-yl]azanium
CID 163294963
4-Propan-2-yloxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine
CID 174262593
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

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine (CID 79953913) is 4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine is NC(CCC(F)(F)F)C1CCOC2(CCC2)C1.
What is the InChIKey of 4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine?
The InChIKey is OGGCGBGLEWIRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)6-2-10(16)9-3-7-17-11(8-9)4-1-5-11/h9-10H,1-8,16H2.
What are the key properties of 4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine?
4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine has a molecular weight of 251.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine is sourced from PubChem (CID 79953913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).