(2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolidine

C12H13F4NO — CID 171195993

IUPAC(2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolidine
SMILESFC(F)C(F)(F)Oc1ccccc1[C@H]1CCCN1
InChIInChI=1S/C12H13F4NO/c13-11(14)12(15,16)18-10-6-2-1-4-8(10)9-5-3-7-17-9/h1-2,4,6,9,11,17H,3,5,7H2/t9-/m1/s1
InChIKeyBVNXXZGMVVNLMA-SECBINFHSA-N
MW263.23 g/mol
LogP3.35
Rot. Bonds4

About (2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolidine

(2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolidine (PubChem CID 171195993) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is (2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolidine
PubChem CID171195993
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Name(2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolidine
SMILESFC(F)C(F)(F)Oc1ccccc1[C@H]1CCCN1
InChIInChI=1S/C12H13F4NO/c13-11(14)12(15,16)18-10-6-2-1-4-8(10)9-5-3-7-17-9/h1-2,4,6,9,11,17H,3,5,7H2/t9-/m1/s1
InChIKeyBVNXXZGMVVNLMA-SECBINFHSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]azetidine;hydrochloride
CID 171197337
(3R)-3-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine
CID 171192719
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
2-[(2R)-pyrrolidin-2-yl]-6-(trifluoromethoxy)phenol
CID 171259764
(2R)-2-[2-(trifluoromethylsulfanyl)phenyl]pyrrolidine
CID 131498853
2-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine
CID 117330926
2-[(2R)-pyrrolidin-2-yl]benzenethiol
CID 66518323
(2S)-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]piperidine
CID 171195042
(2R)-2-(2-fluorophenyl)pyrrolidine;methane
CID 161076171
(2S)-2-(2-fluorophenyl)pyrrolidine;hydrochloride
CID 66518510
(2S)-2-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrrolidine
CID 126961273
2-(2-ethoxyphenyl)piperidine;hydrochloride
CID 17389892

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolidine?
The IUPAC name of (2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolidine (CID 171195993) is (2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolidine?
The canonical SMILES for (2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolidine is FC(F)C(F)(F)Oc1ccccc1[C@H]1CCCN1.
What is the InChIKey of (2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolidine?
The InChIKey is BVNXXZGMVVNLMA-SECBINFHSA-N. The full InChI is InChI=1S/C12H13F4NO/c13-11(14)12(15,16)18-10-6-2-1-4-8(10)9-5-3-7-17-9/h1-2,4,6,9,11,17H,3,5,7H2/t9-/m1/s1.
What are the key properties of (2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolidine?
(2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolidine has a molecular weight of 263.23 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrrolidine is sourced from PubChem (CID 171195993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).