[(2S,4S)-2-[4-(2-methylphenoxy)phenyl]-4-(trifluoromethyl)pyrrolidin-2-yl]methanol

C19H20F3NO2 — CID 67086101

IUPAC[(2S,4S)-2-[4-(2-methylphenoxy)phenyl]-4-(trifluoromethyl)pyrrolidin-2-yl]methanol
SMILESCc1ccccc1Oc1ccc([C@]2(CO)C[C@H](C(F)(F)F)CN2)cc1
InChIInChI=1S/C19H20F3NO2/c1-13-4-2-3-5-17(13)25-16-8-6-14(7-9-16)18(12-24)10-15(11-23-18)19(20,21)22/h2-9,15,23-24H,10-12H2,1H3/t15-,18+/m0/s1
InChIKeyPHPIRLHOEJTWGC-MAUKXSAKSA-N
MW351.37 g/mol
LogP4.15
Rot. Bonds4

About [(2S,4S)-2-[4-(2-methylphenoxy)phenyl]-4-(trifluoromethyl)pyrrolidin-2-yl]methanol

[(2S,4S)-2-[4-(2-methylphenoxy)phenyl]-4-(trifluoromethyl)pyrrolidin-2-yl]methanol (PubChem CID 67086101) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is [(2S,4S)-2-[4-(2-methylphenoxy)phenyl]-4-(trifluoromethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-2-[4-(2-methylphenoxy)phenyl]-4-(trifluoromethyl)pyrrolidin-2-yl]methanol
PubChem CID67086101
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name[(2S,4S)-2-[4-(2-methylphenoxy)phenyl]-4-(trifluoromethyl)pyrrolidin-2-yl]methanol
SMILESCc1ccccc1Oc1ccc([C@]2(CO)C[C@H](C(F)(F)F)CN2)cc1
InChIInChI=1S/C19H20F3NO2/c1-13-4-2-3-5-17(13)25-16-8-6-14(7-9-16)18(12-24)10-15(11-23-18)19(20,21)22/h2-9,15,23-24H,10-12H2,1H3/t15-,18+/m0/s1
InChIKeyPHPIRLHOEJTWGC-MAUKXSAKSA-N
XLogP4.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-[4-(2-methylphenoxy)phenyl]-4-(trifluoromethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-2-[4-(2-methylphenoxy)phenyl]-4-(trifluoromethyl)pyrrolidin-2-yl]methanol (CID 67086101) is [(2S,4S)-2-[4-(2-methylphenoxy)phenyl]-4-(trifluoromethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-2-[4-(2-methylphenoxy)phenyl]-4-(trifluoromethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-2-[4-(2-methylphenoxy)phenyl]-4-(trifluoromethyl)pyrrolidin-2-yl]methanol is Cc1ccccc1Oc1ccc([C@]2(CO)C[C@H](C(F)(F)F)CN2)cc1.
What is the InChIKey of [(2S,4S)-2-[4-(2-methylphenoxy)phenyl]-4-(trifluoromethyl)pyrrolidin-2-yl]methanol?
The InChIKey is PHPIRLHOEJTWGC-MAUKXSAKSA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-13-4-2-3-5-17(13)25-16-8-6-14(7-9-16)18(12-24)10-15(11-23-18)19(20,21)22/h2-9,15,23-24H,10-12H2,1H3/t15-,18+/m0/s1.
What are the key properties of [(2S,4S)-2-[4-(2-methylphenoxy)phenyl]-4-(trifluoromethyl)pyrrolidin-2-yl]methanol?
[(2S,4S)-2-[4-(2-methylphenoxy)phenyl]-4-(trifluoromethyl)pyrrolidin-2-yl]methanol has a molecular weight of 351.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-[4-(2-methylphenoxy)phenyl]-4-(trifluoromethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 67086101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).