(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine

C11H13F3N2 — CID 18725667

IUPAC(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESN[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C11H13F3N2/c12-11(13,14)8-1-3-10(4-2-8)16-6-5-9(15)7-16/h1-4,9H,5-7,15H2/t9-/m0/s1
InChIKeyJESYTMXMXNUFCV-VIFPVBQESA-N
MW230.23 g/mol
LogP2.24
Rot. Bonds1

About (3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine

(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine (PubChem CID 18725667) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is (3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
PubChem CID18725667
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine
SMILESN[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C11H13F3N2/c12-11(13,14)8-1-3-10(4-2-8)16-6-5-9(15)7-16/h1-4,9H,5-7,15H2/t9-/m0/s1
InChIKeyJESYTMXMXNUFCV-VIFPVBQESA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine (CID 18725667) is (3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine is N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of (3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
The InChIKey is JESYTMXMXNUFCV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13F3N2/c12-11(13,14)8-1-3-10(4-2-8)16-6-5-9(15)7-16/h1-4,9H,5-7,15H2/t9-/m0/s1.
What are the key properties of (3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine?
(3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine has a molecular weight of 230.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 18725667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).