3-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine

C11H11F4N — CID 83808419

IUPAC3-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine
SMILESFc1ccc(C(F)(F)F)cc1C1CCNC1
InChIInChI=1S/C11H11F4N/c12-10-2-1-8(11(13,14)15)5-9(10)7-3-4-16-6-7/h1-2,5,7,16H,3-4,6H2
InChIKeyUAMUAYAYGOXNLJ-UHFFFAOYSA-N
MW233.21 g/mol
LogP2.92
Rot. Bonds1

About 3-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine

3-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 83808419) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is 3-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID83808419
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC Name3-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine
SMILESFc1ccc(C(F)(F)F)cc1C1CCNC1
InChIInChI=1S/C11H11F4N/c12-10-2-1-8(11(13,14)15)5-9(10)7-3-4-16-6-7/h1-2,5,7,16H,3-4,6H2
InChIKeyUAMUAYAYGOXNLJ-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-pyrrolidin-3-yl-5-(trifluoromethyl)aniline
CID 117103696
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine
CID 71742225
3-(2-fluoro-5-propan-2-ylphenyl)pyrrolidine
CID 117296630
(3S)-3-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
CID 71742224
(2S)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine
CID 66519435
N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 79741047
3-[2-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidine
CID 83806996
3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 169498278
(3R,4R)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpiperidine
CID 51353699
2-[(3S)-pyrrolidin-3-yl]-5-(trifluoromethyl)-1,3-benzothiazole
CID 94917639
3-[4-[cyclopropyl(difluoro)methyl]phenyl]pyrrolidine
CID 116992340
3-fluoro-4-pyrrolidin-3-ylaniline
CID 22625736

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 3-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine (CID 83808419) is 3-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 3-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 3-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine is Fc1ccc(C(F)(F)F)cc1C1CCNC1.
What is the InChIKey of 3-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is UAMUAYAYGOXNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N/c12-10-2-1-8(11(13,14)15)5-9(10)7-3-4-16-6-7/h1-2,5,7,16H,3-4,6H2.
What are the key properties of 3-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine?
3-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 233.21 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 83808419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).