1-[2-(trifluoromethoxy)phenyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

C14H16F3NO2 — CID 82856640

IUPAC1-[2-(trifluoromethoxy)phenyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESOC1(c2ccccc2OC(F)(F)F)CCN2CCCC21
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)20-11-5-2-1-4-10(11)13(19)7-9-18-8-3-6-12(13)18/h1-2,4-5,12,19H,3,6-9H2
InChIKeyPRSNNODBTVLEOM-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.64
Rot. Bonds2

About 1-[2-(trifluoromethoxy)phenyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

1-[2-(trifluoromethoxy)phenyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (PubChem CID 82856640) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-[2-(trifluoromethoxy)phenyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.

Molecular Properties

Compound Name1-[2-(trifluoromethoxy)phenyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
PubChem CID82856640
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name1-[2-(trifluoromethoxy)phenyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESOC1(c2ccccc2OC(F)(F)F)CCN2CCCC21
InChIInChI=1S/C14H16F3NO2/c15-14(16,17)20-11-5-2-1-4-10(11)13(19)7-9-18-8-3-6-12(13)18/h1-2,4-5,12,19H,3,6-9H2
InChIKeyPRSNNODBTVLEOM-UHFFFAOYSA-N
XLogP2.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propoxyphenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 104658943
1-(2-chlorophenyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82857001
2-methyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 65050039
1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 55115980
1-[2-(trifluoromethoxy)phenyl]cycloheptan-1-ol
CID 62789057
1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride
CID 129033013
3-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-ol
CID 114501959
2,4,4-trimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 106663685
3-methyl-1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 103564461
1-phenyl-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 20569063
1-(2,3-difluoro-4-methylphenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 107512350
3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 80699709

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethoxy)phenyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The IUPAC name of 1-[2-(trifluoromethoxy)phenyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (CID 82856640) is 1-[2-(trifluoromethoxy)phenyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.
What is the SMILES notation for 1-[2-(trifluoromethoxy)phenyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The canonical SMILES for 1-[2-(trifluoromethoxy)phenyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is OC1(c2ccccc2OC(F)(F)F)CCN2CCCC21.
What is the InChIKey of 1-[2-(trifluoromethoxy)phenyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The InChIKey is PRSNNODBTVLEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c15-14(16,17)20-11-5-2-1-4-10(11)13(19)7-9-18-8-3-6-12(13)18/h1-2,4-5,12,19H,3,6-9H2.
What are the key properties of 1-[2-(trifluoromethoxy)phenyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
1-[2-(trifluoromethoxy)phenyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol has a molecular weight of 287.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethoxy)phenyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is sourced from PubChem (CID 82856640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).