1-(2-bromophenyl)-3,3-difluorobutan-2-amine

C10H12BrF2N — CID 84711182

IUPAC1-(2-bromophenyl)-3,3-difluorobutan-2-amine
SMILESCC(F)(F)C(N)Cc1ccccc1Br
InChIInChI=1S/C10H12BrF2N/c1-10(12,13)9(14)6-7-4-2-3-5-8(7)11/h2-5,9H,6,14H2,1H3
InChIKeySTIBYSNILUVBCW-UHFFFAOYSA-N
MW264.11 g/mol
LogP2.97
Rot. Bonds3

About 1-(2-bromophenyl)-3,3-difluorobutan-2-amine

1-(2-bromophenyl)-3,3-difluorobutan-2-amine (PubChem CID 84711182) has the molecular formula C10H12BrF2N and a molecular weight of 264.11 g/mol. Its IUPAC name is 1-(2-bromophenyl)-3,3-difluorobutan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-3,3-difluorobutan-2-amine
PubChem CID84711182
Molecular FormulaC10H12BrF2N
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name1-(2-bromophenyl)-3,3-difluorobutan-2-amine
SMILESCC(F)(F)C(N)Cc1ccccc1Br
InChIInChI=1S/C10H12BrF2N/c1-10(12,13)9(14)6-7-4-2-3-5-8(7)11/h2-5,9H,6,14H2,1H3
InChIKeySTIBYSNILUVBCW-UHFFFAOYSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 97110840
1-(2-bromophenyl)-3-(4-fluorophenyl)-3-methylbutan-2-amine
CID 64768948
1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene
CID 134968828
2-(2-bromophenyl)-1-(4-tert-butylphenyl)ethanamine
CID 63419920
1-bromo-2-(2,2-difluoropropyl)benzene
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2-[(2-bromophenyl)methyl]-3,3,3-trifluoropropan-1-ol
CID 115051968
3-(2-bromophenyl)-1-chloro-1,1-difluoropropan-2-ol
CID 112575389
[1-(2-bromophenyl)-3-ethoxy-3-methylbutan-2-yl]hydrazine
CID 105274246
1-(2-bromo-5-fluorophenyl)-3-methyl-3-phenylbutan-2-amine
CID 63086064
1-bromo-2-(2,2-dimethoxyethyl)benzene
CID 11032130
4-(2-bromophenyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 82379119
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CID 79053079

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-3,3-difluorobutan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-3,3-difluorobutan-2-amine (CID 84711182) is 1-(2-bromophenyl)-3,3-difluorobutan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-3,3-difluorobutan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-3,3-difluorobutan-2-amine is CC(F)(F)C(N)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-3,3-difluorobutan-2-amine?
The InChIKey is STIBYSNILUVBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2N/c1-10(12,13)9(14)6-7-4-2-3-5-8(7)11/h2-5,9H,6,14H2,1H3.
What are the key properties of 1-(2-bromophenyl)-3,3-difluorobutan-2-amine?
1-(2-bromophenyl)-3,3-difluorobutan-2-amine has a molecular weight of 264.11 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-3,3-difluorobutan-2-amine is sourced from PubChem (CID 84711182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).