3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine

C12H14F3NO — CID 84705043

IUPAC3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine
SMILESCOc1ccc(C2CCNC2)cc1C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-17-11-3-2-8(9-4-5-16-7-9)6-10(11)12(13,14)15/h2-3,6,9,16H,4-5,7H2,1H3
InChIKeyTZZACZRFTDHTGY-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.79
Rot. Bonds2

About 3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine

3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 84705043) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID84705043
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine
SMILESCOc1ccc(C2CCNC2)cc1C(F)(F)F
InChIInChI=1S/C12H14F3NO/c1-17-11-3-2-8(9-4-5-16-7-9)6-10(11)12(13,14)15/h2-3,6,9,16H,4-5,7H2,1H3
InChIKeyTZZACZRFTDHTGY-UHFFFAOYSA-N
XLogP2.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-methoxy-3-(trifluoromethyl)phenyl]-7-azaspiro[3.5]nonane
CID 175706581
3-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]pyrrolidine
CID 117439944
3-[3-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]pyrrolidine
CID 117430881
(3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine
CID 130969820
1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine
CID 82620503
3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
CID 116989297
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
3-(4-methoxy-3-methylsulfonylphenyl)pyrrolidine
CID 117391565
methyl 2-methyl-2-[4-piperidin-4-yl-2-(trifluoromethyl)phenoxy]propanoate
CID 170758902
2-[4-methoxy-3-(trifluoromethyl)phenyl]oxirane
CID 139822702
4-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]piperidine
CID 117467271
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225

Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine (CID 84705043) is 3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine is COc1ccc(C2CCNC2)cc1C(F)(F)F.
What is the InChIKey of 3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is TZZACZRFTDHTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-17-11-3-2-8(9-4-5-16-7-9)6-10(11)12(13,14)15/h2-3,6,9,16H,4-5,7H2,1H3.
What are the key properties of 3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine?
3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 245.24 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 84705043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).