1,1,1-trifluoro-3-(5-oxaspiro[3.5]nonan-8-ylamino)propan-2-ol

C11H18F3NO2 — CID 114093408

IUPAC1,1,1-trifluoro-3-(5-oxaspiro[3.5]nonan-8-ylamino)propan-2-ol
SMILESOC(CNC1CCOC2(CCC2)C1)C(F)(F)F
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)9(16)7-15-8-2-5-17-10(6-8)3-1-4-10/h8-9,15-16H,1-7H2
InChIKeyNCSCLOFTKJELEE-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.60
Rot. Bonds3

About 1,1,1-trifluoro-3-(5-oxaspiro[3.5]nonan-8-ylamino)propan-2-ol

1,1,1-trifluoro-3-(5-oxaspiro[3.5]nonan-8-ylamino)propan-2-ol (PubChem CID 114093408) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(5-oxaspiro[3.5]nonan-8-ylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(5-oxaspiro[3.5]nonan-8-ylamino)propan-2-ol
PubChem CID114093408
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name1,1,1-trifluoro-3-(5-oxaspiro[3.5]nonan-8-ylamino)propan-2-ol
SMILESOC(CNC1CCOC2(CCC2)C1)C(F)(F)F
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)9(16)7-15-8-2-5-17-10(6-8)3-1-4-10/h8-9,15-16H,1-7H2
InChIKeyNCSCLOFTKJELEE-UHFFFAOYSA-N
XLogP1.60
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 64102914
[2-Ethyl-2-methyl-4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
CID 64139072
[2-Ethyl-4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
CID 64139282
[2-Propyl-4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
CID 64139283
N-(2,2,2-trifluoroethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897879
N-[2-(2,2,2-trifluoroethoxy)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903120
N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903198
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903435
N-(3,3,3-trifluoropropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79904109
N-ethyl-4,4,4-trifluoro-1-(2-methyloxan-2-yl)butan-1-amine
CID 80684173
4,4,4-trifluoro-1-(2-methyloxan-2-yl)-N-propylbutan-1-amine
CID 80685106
2,2-diethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]oxan-4-amine
CID 83032925

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(5-oxaspiro[3.5]nonan-8-ylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(5-oxaspiro[3.5]nonan-8-ylamino)propan-2-ol (CID 114093408) is 1,1,1-trifluoro-3-(5-oxaspiro[3.5]nonan-8-ylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(5-oxaspiro[3.5]nonan-8-ylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(5-oxaspiro[3.5]nonan-8-ylamino)propan-2-ol is OC(CNC1CCOC2(CCC2)C1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(5-oxaspiro[3.5]nonan-8-ylamino)propan-2-ol?
The InChIKey is NCSCLOFTKJELEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c12-11(13,14)9(16)7-15-8-2-5-17-10(6-8)3-1-4-10/h8-9,15-16H,1-7H2.
What are the key properties of 1,1,1-trifluoro-3-(5-oxaspiro[3.5]nonan-8-ylamino)propan-2-ol?
1,1,1-trifluoro-3-(5-oxaspiro[3.5]nonan-8-ylamino)propan-2-ol has a molecular weight of 253.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(5-oxaspiro[3.5]nonan-8-ylamino)propan-2-ol is sourced from PubChem (CID 114093408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).