1-[2-phenylmethoxy-3,5-bis(trifluoromethyl)phenyl]pyrrolidine

C19H17F6NO — CID 171507515

IUPAC1-[2-phenylmethoxy-3,5-bis(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1cc(N2CCCC2)c(OCc2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C19H17F6NO/c20-18(21,22)14-10-15(19(23,24)25)17(16(11-14)26-8-4-5-9-26)27-12-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9,12H2
InChIKeyWRAQMTDIWBAHNO-UHFFFAOYSA-N
MW389.34 g/mol
LogP5.90
Rot. Bonds4

About 1-[2-phenylmethoxy-3,5-bis(trifluoromethyl)phenyl]pyrrolidine

1-[2-phenylmethoxy-3,5-bis(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 171507515) has the molecular formula C19H17F6NO and a molecular weight of 389.34 g/mol. Its IUPAC name is 1-[2-phenylmethoxy-3,5-bis(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-phenylmethoxy-3,5-bis(trifluoromethyl)phenyl]pyrrolidine
PubChem CID171507515
Molecular FormulaC19H17F6NO
Molecular Weight389.34 g/mol
Exact Mass389.12
IUPAC Name1-[2-phenylmethoxy-3,5-bis(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1cc(N2CCCC2)c(OCc2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C19H17F6NO/c20-18(21,22)14-10-15(19(23,24)25)17(16(11-14)26-8-4-5-9-26)27-12-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9,12H2
InChIKeyWRAQMTDIWBAHNO-UHFFFAOYSA-N
XLogP5.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.34
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-iodo-2-phenylmethoxy-3,5-bis(trifluoromethyl)benzene
CID 90300169
4-[2-phenylmethoxy-3,5-bis(trifluoromethyl)phenyl]-1H-pyrazole
CID 171837626
4-phenylmethoxy-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2066084
5-fluoro-2-phenylmethoxy-3-(trifluoromethyl)benzoic acid
CID 19888148
2-(3-methyl-2-phenylmethoxyphenyl)propan-2-yl-(4-methyl-2-piperidin-1-ylphenyl)phosphane
CID 71039911
N-[3,5-bis(trifluoromethyl)phenyl]-2-phenylmethoxy-3-(piperidine-1-carbonyl)benzamide
CID 86623593
1-[2-[2,6-difluoro-4-(trifluoromethyl)phenoxy]-4-fluorophenyl]pyrrolidine
CID 168515552
2-phenylmethoxy-3-(trifluoromethyl)benzoic acid
CID 23450801
2-pyrrolidin-1-yl-4-(trifluoromethyl)benzenethiol
CID 144965090
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine
CID 58412701
3-(1,3-dioxol-2-yl)-4-phenylmethoxy-5-(trifluoromethyl)benzoic acid
CID 178077175

Frequently Asked Questions

What is the IUPAC name of 1-[2-phenylmethoxy-3,5-bis(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 1-[2-phenylmethoxy-3,5-bis(trifluoromethyl)phenyl]pyrrolidine (CID 171507515) is 1-[2-phenylmethoxy-3,5-bis(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[2-phenylmethoxy-3,5-bis(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[2-phenylmethoxy-3,5-bis(trifluoromethyl)phenyl]pyrrolidine is FC(F)(F)c1cc(N2CCCC2)c(OCc2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[2-phenylmethoxy-3,5-bis(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is WRAQMTDIWBAHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6NO/c20-18(21,22)14-10-15(19(23,24)25)17(16(11-14)26-8-4-5-9-26)27-12-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9,12H2.
What are the key properties of 1-[2-phenylmethoxy-3,5-bis(trifluoromethyl)phenyl]pyrrolidine?
1-[2-phenylmethoxy-3,5-bis(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 389.34 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-phenylmethoxy-3,5-bis(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 171507515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).