2-[3-bromo-4-(difluoromethyl)phenyl]propan-2-amine

C10H12BrF2N — CID 117414435

IUPAC2-[3-bromo-4-(difluoromethyl)phenyl]propan-2-amine
SMILESCC(C)(N)c1ccc(C(F)F)c(Br)c1
InChIInChI=1S/C10H12BrF2N/c1-10(2,14)6-3-4-7(9(12)13)8(11)5-6/h3-5,9H,14H2,1-2H3
InChIKeyLHURJRADTDWZBA-UHFFFAOYSA-N
MW264.11 g/mol
LogP3.58
Rot. Bonds2

About 2-[3-bromo-4-(difluoromethyl)phenyl]propan-2-amine

2-[3-bromo-4-(difluoromethyl)phenyl]propan-2-amine (PubChem CID 117414435) has the molecular formula C10H12BrF2N and a molecular weight of 264.11 g/mol. Its IUPAC name is 2-[3-bromo-4-(difluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[3-bromo-4-(difluoromethyl)phenyl]propan-2-amine
PubChem CID117414435
Molecular FormulaC10H12BrF2N
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name2-[3-bromo-4-(difluoromethyl)phenyl]propan-2-amine
SMILESCC(C)(N)c1ccc(C(F)F)c(Br)c1
InChIInChI=1S/C10H12BrF2N/c1-10(2,14)6-3-4-7(9(12)13)8(11)5-6/h3-5,9H,14H2,1-2H3
InChIKeyLHURJRADTDWZBA-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-(difluoromethyl)phenyl]propan-2-amine?
The IUPAC name of 2-[3-bromo-4-(difluoromethyl)phenyl]propan-2-amine (CID 117414435) is 2-[3-bromo-4-(difluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[3-bromo-4-(difluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 2-[3-bromo-4-(difluoromethyl)phenyl]propan-2-amine is CC(C)(N)c1ccc(C(F)F)c(Br)c1.
What is the InChIKey of 2-[3-bromo-4-(difluoromethyl)phenyl]propan-2-amine?
The InChIKey is LHURJRADTDWZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2N/c1-10(2,14)6-3-4-7(9(12)13)8(11)5-6/h3-5,9H,14H2,1-2H3.
What are the key properties of 2-[3-bromo-4-(difluoromethyl)phenyl]propan-2-amine?
2-[3-bromo-4-(difluoromethyl)phenyl]propan-2-amine has a molecular weight of 264.11 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-4-(difluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 117414435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).