2,2,2-trifluoro-1-[(3R)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanol

C15H20F3NO2 — CID 174885722

IUPAC2,2,2-trifluoro-1-[(3R)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanol
SMILESCOc1ccc(C(C)N2CC[C@@H](C(O)C(F)(F)F)C2)cc1
InChIInChI=1S/C15H20F3NO2/c1-10(11-3-5-13(21-2)6-4-11)19-8-7-12(9-19)14(20)15(16,17)18/h3-6,10,12,14,20H,7-9H2,1-2H3/t10?,12-,14?/m1/s1
InChIKeyIWJMBSCKYJWZHR-KSGYAGIASA-N
MW303.32 g/mol
LogP3.00
Rot. Bonds4

About 2,2,2-trifluoro-1-[(3R)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanol

2,2,2-trifluoro-1-[(3R)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanol (PubChem CID 174885722) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(3R)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(3R)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanol
PubChem CID174885722
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name2,2,2-trifluoro-1-[(3R)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanol
SMILESCOc1ccc(C(C)N2CC[C@@H](C(O)C(F)(F)F)C2)cc1
InChIInChI=1S/C15H20F3NO2/c1-10(11-3-5-13(21-2)6-4-11)19-8-7-12(9-19)14(20)15(16,17)18/h3-6,10,12,14,20H,7-9H2,1-2H3/t10?,12-,14?/m1/s1
InChIKeyIWJMBSCKYJWZHR-KSGYAGIASA-N
XLogP3.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(3R)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[(3R)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanol (CID 174885722) is 2,2,2-trifluoro-1-[(3R)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[(3R)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[(3R)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanol is COc1ccc(C(C)N2CC[C@@H](C(O)C(F)(F)F)C2)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-[(3R)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanol?
The InChIKey is IWJMBSCKYJWZHR-KSGYAGIASA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-10(11-3-5-13(21-2)6-4-11)19-8-7-12(9-19)14(20)15(16,17)18/h3-6,10,12,14,20H,7-9H2,1-2H3/t10?,12-,14?/m1/s1.
What are the key properties of 2,2,2-trifluoro-1-[(3R)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanol?
2,2,2-trifluoro-1-[(3R)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanol has a molecular weight of 303.32 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[(3R)-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 174885722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).