[1-[5-bromo-2-(difluoromethyl)phenyl]cyclopropyl]methanamine

C11H12BrF2N — CID 117441675

IUPAC[1-[5-bromo-2-(difluoromethyl)phenyl]cyclopropyl]methanamine
SMILESNCC1(c2cc(Br)ccc2C(F)F)CC1
InChIInChI=1S/C11H12BrF2N/c12-7-1-2-8(10(13)14)9(5-7)11(6-15)3-4-11/h1-2,5,10H,3-4,6,15H2
InChIKeyNGOJSTBUNVAVAF-UHFFFAOYSA-N
MW276.12 g/mol
LogP3.38
Rot. Bonds3

About [1-[5-bromo-2-(difluoromethyl)phenyl]cyclopropyl]methanamine

[1-[5-bromo-2-(difluoromethyl)phenyl]cyclopropyl]methanamine (PubChem CID 117441675) has the molecular formula C11H12BrF2N and a molecular weight of 276.12 g/mol. Its IUPAC name is [1-[5-bromo-2-(difluoromethyl)phenyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[5-bromo-2-(difluoromethyl)phenyl]cyclopropyl]methanamine
PubChem CID117441675
Molecular FormulaC11H12BrF2N
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Name[1-[5-bromo-2-(difluoromethyl)phenyl]cyclopropyl]methanamine
SMILESNCC1(c2cc(Br)ccc2C(F)F)CC1
InChIInChI=1S/C11H12BrF2N/c12-7-1-2-8(10(13)14)9(5-7)11(6-15)3-4-11/h1-2,5,10H,3-4,6,15H2
InChIKeyNGOJSTBUNVAVAF-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-[5-bromo-2-(difluoromethyl)phenyl]cyclopropyl]methanamine?
The IUPAC name of [1-[5-bromo-2-(difluoromethyl)phenyl]cyclopropyl]methanamine (CID 117441675) is [1-[5-bromo-2-(difluoromethyl)phenyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[5-bromo-2-(difluoromethyl)phenyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[5-bromo-2-(difluoromethyl)phenyl]cyclopropyl]methanamine is NCC1(c2cc(Br)ccc2C(F)F)CC1.
What is the InChIKey of [1-[5-bromo-2-(difluoromethyl)phenyl]cyclopropyl]methanamine?
The InChIKey is NGOJSTBUNVAVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2N/c12-7-1-2-8(10(13)14)9(5-7)11(6-15)3-4-11/h1-2,5,10H,3-4,6,15H2.
What are the key properties of [1-[5-bromo-2-(difluoromethyl)phenyl]cyclopropyl]methanamine?
[1-[5-bromo-2-(difluoromethyl)phenyl]cyclopropyl]methanamine has a molecular weight of 276.12 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-bromo-2-(difluoromethyl)phenyl]cyclopropyl]methanamine is sourced from PubChem (CID 117441675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).