(2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine

C11H11F4N — CID 66519435

IUPAC(2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine
SMILESFc1ccc(C(F)(F)F)cc1[C@@H]1CCCN1
InChIInChI=1S/C11H11F4N/c12-9-4-3-7(11(13,14)15)6-8(9)10-2-1-5-16-10/h3-4,6,10,16H,1-2,5H2/t10-/m0/s1
InChIKeyYHLUXUCPXSFYJZ-JTQLQIEISA-N
MW233.21 g/mol
LogP3.27
Rot. Bonds1

About (2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine

(2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 66519435) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is (2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID66519435
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC Name(2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine
SMILESFc1ccc(C(F)(F)F)cc1[C@@H]1CCCN1
InChIInChI=1S/C11H11F4N/c12-9-4-3-7(11(13,14)15)6-8(9)10-2-1-5-16-10/h3-4,6,10,16H,1-2,5H2/t10-/m0/s1
InChIKeyYHLUXUCPXSFYJZ-JTQLQIEISA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[2,5-bis(trifluoromethyl)phenyl]pyrrolidine
CID 171196002
2-[2-methyl-4-(trifluoromethyl)phenyl]pyrrolidine
CID 103693387
(2R)-2-[2,4-bis(trifluoromethyl)phenyl]pyrrolidine
CID 171196029
2-[2-methoxy-5-(trifluoromethyl)phenyl]pyrrolidine
CID 77131939
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
3-[2-fluoro-5-(trifluoromethyl)phenyl]morpholine
CID 83439762
CID 174947937
CID 174947937
2-chloro-3-pyrrolidin-2-yl-5-(trifluoromethyl)pyridine
CID 130144513
2-(azepan-2-yl)-4-(trifluoromethyl)benzonitrile
CID 141175039
(2R)-2-(2-fluoro-5-methylphenyl)pyrrolidine;hydrochloride
CID 66518747
2-[5-(difluoromethyl)-2-fluorophenyl]pyrrolidine
CID 77131569
(2S)-2-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidine
CID 66519451

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of (2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine (CID 66519435) is (2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for (2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine is Fc1ccc(C(F)(F)F)cc1[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is YHLUXUCPXSFYJZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11F4N/c12-9-4-3-7(11(13,14)15)6-8(9)10-2-1-5-16-10/h3-4,6,10,16H,1-2,5H2/t10-/m0/s1.
What are the key properties of (2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine?
(2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 233.21 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 66519435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).