(3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine

C14H18F3NO — CID 66890766

IUPAC(3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine
SMILESCC[C@H](Oc1cccc(C(F)(F)F)c1)[C@H]1CCNC1
InChIInChI=1S/C14H18F3NO/c1-2-13(10-6-7-18-9-10)19-12-5-3-4-11(8-12)14(15,16)17/h3-5,8,10,13,18H,2,6-7,9H2,1H3/t10-,13-/m0/s1
InChIKeyOEGGMWLSEBNDND-GWCFXTLKSA-N
MW273.30 g/mol
LogP3.47
Rot. Bonds4

About (3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine

(3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine (PubChem CID 66890766) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is (3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine.

Molecular Properties

Compound Name(3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine
PubChem CID66890766
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name(3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine
SMILESCC[C@H](Oc1cccc(C(F)(F)F)c1)[C@H]1CCNC1
InChIInChI=1S/C14H18F3NO/c1-2-13(10-6-7-18-9-10)19-12-5-3-4-11(8-12)14(15,16)17/h3-5,8,10,13,18H,2,6-7,9H2,1H3/t10-,13-/m0/s1
InChIKeyOEGGMWLSEBNDND-GWCFXTLKSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(1S)-2-methylsulfanyl-1-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 66860712
(3S)-3-[(1R)-2-propan-2-yloxy-1-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 66859167
2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 117238349
3-[1-(4-methylphenoxy)propyl]pyrrolidine
CID 173284733
(3S)-3-[(1S)-1-(3,5-dichlorophenoxy)propyl]pyrrolidine
CID 66892286
3-[(1R)-1-(3,5-dichlorophenoxy)propyl]pyrrolidine
CID 66891634
3-[(1R)-2-ethylsulfanyl-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 66861082
(3S)-3-[(1S)-1-(3,5-difluoro-4-methoxyphenoxy)propyl]pyrrolidine
CID 66892314
3-[(1S)-1-(4-chloro-3,5-dimethylphenoxy)propyl]pyrrolidine
CID 66892676
(3S)-3-(1-naphthalen-1-yloxypropyl)pyrrolidine
CID 66892345
(3S)-3-[(1S)-2-methylsulfonyl-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine;hydrate
CID 66974891
3-[(1R)-3-methylsulfonyl-1-[4-(trifluoromethyl)phenoxy]propyl]pyrrolidine
CID 56960764

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine?
The IUPAC name of (3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine (CID 66890766) is (3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine.
What is the SMILES notation for (3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine?
The canonical SMILES for (3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine is CC[C@H](Oc1cccc(C(F)(F)F)c1)[C@H]1CCNC1.
What is the InChIKey of (3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine?
The InChIKey is OEGGMWLSEBNDND-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-2-13(10-6-7-18-9-10)19-12-5-3-4-11(8-12)14(15,16)17/h3-5,8,10,13,18H,2,6-7,9H2,1H3/t10-,13-/m0/s1.
What are the key properties of (3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine?
(3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine has a molecular weight of 273.30 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine is sourced from PubChem (CID 66890766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).