4-(3-bromophenyl)-2-(difluoromethyl)butan-1-amine

C11H14BrF2N — CID 84730321

IUPAC4-(3-bromophenyl)-2-(difluoromethyl)butan-1-amine
SMILESNCC(CCc1cccc(Br)c1)C(F)F
InChIInChI=1S/C11H14BrF2N/c12-10-3-1-2-8(6-10)4-5-9(7-15)11(13)14/h1-3,6,9,11H,4-5,7,15H2
InChIKeyKKPIMEZBJDRWRB-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.22
Rot. Bonds5

About 4-(3-bromophenyl)-2-(difluoromethyl)butan-1-amine

4-(3-bromophenyl)-2-(difluoromethyl)butan-1-amine (PubChem CID 84730321) has the molecular formula C11H14BrF2N and a molecular weight of 278.14 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-(difluoromethyl)butan-1-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-(difluoromethyl)butan-1-amine
PubChem CID84730321
Molecular FormulaC11H14BrF2N
Molecular Weight278.14 g/mol
Exact Mass277.03
IUPAC Name4-(3-bromophenyl)-2-(difluoromethyl)butan-1-amine
SMILESNCC(CCc1cccc(Br)c1)C(F)F
InChIInChI=1S/C11H14BrF2N/c12-10-3-1-2-8(6-10)4-5-9(7-15)11(13)14/h1-3,6,9,11H,4-5,7,15H2
InChIKeyKKPIMEZBJDRWRB-UHFFFAOYSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-(3-bromophenyl)-2-fluorobutanoic acid
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N'-[2-(3-bromophenyl)ethyl]-2-methylbutane-1,4-diamine
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CID 115180792
2-(3-bromophenyl)ethanol
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magnesium;(3-bromophenyl)methanamine;dibromide
CID 174355920
3-(3-bromophenyl)-2-(2-fluorophenyl)propan-1-amine
CID 79448953
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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-(difluoromethyl)butan-1-amine?
The IUPAC name of 4-(3-bromophenyl)-2-(difluoromethyl)butan-1-amine (CID 84730321) is 4-(3-bromophenyl)-2-(difluoromethyl)butan-1-amine.
What is the SMILES notation for 4-(3-bromophenyl)-2-(difluoromethyl)butan-1-amine?
The canonical SMILES for 4-(3-bromophenyl)-2-(difluoromethyl)butan-1-amine is NCC(CCc1cccc(Br)c1)C(F)F.
What is the InChIKey of 4-(3-bromophenyl)-2-(difluoromethyl)butan-1-amine?
The InChIKey is KKPIMEZBJDRWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2N/c12-10-3-1-2-8(6-10)4-5-9(7-15)11(13)14/h1-3,6,9,11H,4-5,7,15H2.
What are the key properties of 4-(3-bromophenyl)-2-(difluoromethyl)butan-1-amine?
4-(3-bromophenyl)-2-(difluoromethyl)butan-1-amine has a molecular weight of 278.14 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-(difluoromethyl)butan-1-amine is sourced from PubChem (CID 84730321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).