3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol

C11H16F3NO — CID 171964325

IUPAC3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(CCC(F)=C(F)F)CC2CCC(C1)N2
InChIInChI=1S/C11H16F3NO/c12-9(10(13)14)3-4-11(16)5-7-1-2-8(6-11)15-7/h7-8,15-16H,1-6H2
InChIKeyUCKPDCAEDNBGRE-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.49
Rot. Bonds3

About 3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol

3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171964325) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171964325
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1(CCC(F)=C(F)F)CC2CCC(C1)N2
InChIInChI=1S/C11H16F3NO/c12-9(10(13)14)3-4-11(16)5-7-1-2-8(6-11)15-7/h7-8,15-16H,1-6H2
InChIKeyUCKPDCAEDNBGRE-UHFFFAOYSA-N
XLogP2.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol hydrochloride
CID 68756484
3-(Trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 50990616
(1R,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 52420906
3-(1,1-Difluoroethyl)-8-methanidyl-8-azoniabicyclo[3.2.1]octan-3-ol
CID 58123630
(1R,5R)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98113052
(3S,5S,6S)-6-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 162614406
3-(3,3,3-Trifluoropropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 64566988
3-(Difluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 80606035
(1S,5S)-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 98113051
3-[Bromo(difluoro)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 107140024
3-[(3,3-Difluorocyclohexyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 114224454
3-(4,4,4-Trifluorobutyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 115515305

Frequently Asked Questions

What is the IUPAC name of 3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171964325) is 3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1(CCC(F)=C(F)F)CC2CCC(C1)N2.
What is the InChIKey of 3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is UCKPDCAEDNBGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c12-9(10(13)14)3-4-11(16)5-7-1-2-8(6-11)15-7/h7-8,15-16H,1-6H2.
What are the key properties of 3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 235.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171964325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).