[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine

C11H11ClF3N — CID 117112227

IUPAC[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine
SMILESNCC1(c2cc(Cl)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C11H11ClF3N/c12-9-4-7(10(6-16)1-2-10)3-8(5-9)11(13,14)15/h3-5H,1-2,6,16H2
InChIKeyQAANBAQMURWJFY-UHFFFAOYSA-N
MW249.66 g/mol
LogP3.35
Rot. Bonds2

About [1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine

[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine (PubChem CID 117112227) has the molecular formula C11H11ClF3N and a molecular weight of 249.66 g/mol. Its IUPAC name is [1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine
PubChem CID117112227
Molecular FormulaC11H11ClF3N
Molecular Weight249.66 g/mol
Exact Mass249.05
IUPAC Name[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine
SMILESNCC1(c2cc(Cl)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C11H11ClF3N/c12-9-4-7(10(6-16)1-2-10)3-8(5-9)11(13,14)15/h3-5H,1-2,6,16H2
InChIKeyQAANBAQMURWJFY-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine?
The IUPAC name of [1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine (CID 117112227) is [1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine is NCC1(c2cc(Cl)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of [1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine?
The InChIKey is QAANBAQMURWJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N/c12-9-4-7(10(6-16)1-2-10)3-8(5-9)11(13,14)15/h3-5H,1-2,6,16H2.
What are the key properties of [1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine?
[1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine has a molecular weight of 249.66 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 117112227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).