(1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol;2,2,2-trifluoroacetic acid

C11H16F3NO3 — CID 175729321

IUPAC(1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC12CC3C[C@H](C1)N[C@@H](C3)C2
InChIInChI=1S/C9H15NO.C2HF3O2/c11-9-3-6-1-7(4-9)10-8(2-6)5-9;3-2(4,5)1(6)7/h6-8,10-11H,1-5H2;(H,6,7)/t6?,7-,8+,9?;
InChIKeyKHBKYSMGJOCRNW-JOSGUKQYSA-N
MW267.25 g/mol
LogP1.29
Rot. Bonds

About (1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol;2,2,2-trifluoroacetic acid

(1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol;2,2,2-trifluoroacetic acid (PubChem CID 175729321) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is (1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol;2,2,2-trifluoroacetic acid
PubChem CID175729321
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name(1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.OC12CC3C[C@H](C1)N[C@@H](C3)C2
InChIInChI=1S/C9H15NO.C2HF3O2/c11-9-3-6-1-7(4-9)10-8(2-6)5-9;3-2(4,5)1(6)7/h6-8,10-11H,1-5H2;(H,6,7)/t6?,7-,8+,9?;
InChIKeyKHBKYSMGJOCRNW-JOSGUKQYSA-N
XLogP1.29
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol
CID 175729322
3,3-difluoro-6-azabicyclo[3.1.1]heptane;2,2,2-trifluoroacetic acid
CID 172915955
3,6-diazabicyclo[3.1.1]heptane;2,2,2-trifluoroacetic acid
CID 175917461
bicyclo[2.2.2]octane;bis(2,2,2-trifluoroacetic acid)
CID 87462470
5-azaspiro[2.3]hexane-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 155822908
(3S)-2-azabicyclo[2.1.1]hexane-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 129315011
adamantan-1-ol;azane
CID 66728775
(5-hydroxy-2-adamantyl) 2,2-difluoropropanoate
CID 58108063
5-tert-butyl-2-azatricyclo[3.3.1.13,7]decane
CID 170386418
3-(cyclopropylmethyl)azetidin-3-ol;2,2,2-trifluoroacetic acid
CID 170912508
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of (1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol;2,2,2-trifluoroacetic acid (CID 175729321) is (1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for (1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.OC12CC3C[C@H](C1)N[C@@H](C3)C2.
What is the InChIKey of (1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol;2,2,2-trifluoroacetic acid?
The InChIKey is KHBKYSMGJOCRNW-JOSGUKQYSA-N. The full InChI is InChI=1S/C9H15NO.C2HF3O2/c11-9-3-6-1-7(4-9)10-8(2-6)5-9;3-2(4,5)1(6)7/h6-8,10-11H,1-5H2;(H,6,7)/t6?,7-,8+,9?;.
What are the key properties of (1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol;2,2,2-trifluoroacetic acid?
(1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol;2,2,2-trifluoroacetic acid has a molecular weight of 267.25 g/mol, XLogP of 1.29, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-2-azatricyclo[3.3.1.13,7]decan-5-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175729321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).