N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine

C11H12F4N2 — CID 79741047

IUPACN-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESFc1ccc(C(F)(F)F)cc1NC1CCNC1
InChIInChI=1S/C11H12F4N2/c12-9-2-1-7(11(13,14)15)5-10(9)17-8-3-4-16-6-8/h1-2,5,8,16-17H,3-4,6H2
InChIKeyZXHRWMBKBVWBJD-UHFFFAOYSA-N
MW248.22 g/mol
LogP2.62
Rot. Bonds2

About N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine

N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine (PubChem CID 79741047) has the molecular formula C11H12F4N2 and a molecular weight of 248.22 g/mol. Its IUPAC name is N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine
PubChem CID79741047
Molecular FormulaC11H12F4N2
Molecular Weight248.22 g/mol
Exact Mass248.09
IUPAC NameN-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESFc1ccc(C(F)(F)F)cc1NC1CCNC1
InChIInChI=1S/C11H12F4N2/c12-9-2-1-7(11(13,14)15)5-10(9)17-8-3-4-16-6-8/h1-2,5,8,16-17H,3-4,6H2
InChIKeyZXHRWMBKBVWBJD-UHFFFAOYSA-N
XLogP2.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine (CID 79741047) is N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine is Fc1ccc(C(F)(F)F)cc1NC1CCNC1.
What is the InChIKey of N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The InChIKey is ZXHRWMBKBVWBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2/c12-9-2-1-7(11(13,14)15)5-10(9)17-8-3-4-16-6-8/h1-2,5,8,16-17H,3-4,6H2.
What are the key properties of N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine has a molecular weight of 248.22 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 79741047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).