1-(4-bromophenyl)-1-fluoropropan-2-amine

C9H11BrFN — CID 105490420

IUPAC1-(4-bromophenyl)-1-fluoropropan-2-amine
SMILESCC(N)C(F)c1ccc(Br)cc1
InChIInChI=1S/C9H11BrFN/c1-6(12)9(11)7-2-4-8(10)5-3-7/h2-6,9H,12H2,1H3
InChIKeyVGGHMOOOGJCWCJ-UHFFFAOYSA-N
MW232.10 g/mol
LogP2.81
Rot. Bonds2

About 1-(4-bromophenyl)-1-fluoropropan-2-amine

1-(4-bromophenyl)-1-fluoropropan-2-amine (PubChem CID 105490420) has the molecular formula C9H11BrFN and a molecular weight of 232.10 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-fluoropropan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-fluoropropan-2-amine
PubChem CID105490420
Molecular FormulaC9H11BrFN
Molecular Weight232.10 g/mol
Exact Mass231.01
IUPAC Name1-(4-bromophenyl)-1-fluoropropan-2-amine
SMILESCC(N)C(F)c1ccc(Br)cc1
InChIInChI=1S/C9H11BrFN/c1-6(12)9(11)7-2-4-8(10)5-3-7/h2-6,9H,12H2,1H3
InChIKeyVGGHMOOOGJCWCJ-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-bromophenyl)ethanamine;hydrochloride
CID 53484870
(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol
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(1R)-1-(4-bromophenyl)-2-methylbutan-1-amine
CID 131011695
(4-bromophenyl)methanediamine
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1-(4-bromophenyl)-2-fluoro-2-methylpropan-1-amine
CID 84705574
1-(4-bromophenyl)-1-N-ethyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55015880
CID 156792861
CID 156792861
(2S)-2-(4-bromophenyl)propan-1-amine
CID 23566380
O-[1-(4-bromophenyl)ethyl]hydroxylamine
CID 82024183
(4-bromophenyl)-(4-butan-2-ylphenyl)methanamine
CID 43096152
1-bromo-4-[4-(difluoromethyl)phenyl]benzene
CID 85090252
4-(1-fluoro-2-methylpropyl)aniline
CID 83855607

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-fluoropropan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-1-fluoropropan-2-amine (CID 105490420) is 1-(4-bromophenyl)-1-fluoropropan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-1-fluoropropan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-1-fluoropropan-2-amine is CC(N)C(F)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-1-fluoropropan-2-amine?
The InChIKey is VGGHMOOOGJCWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFN/c1-6(12)9(11)7-2-4-8(10)5-3-7/h2-6,9H,12H2,1H3.
What are the key properties of 1-(4-bromophenyl)-1-fluoropropan-2-amine?
1-(4-bromophenyl)-1-fluoropropan-2-amine has a molecular weight of 232.10 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-fluoropropan-2-amine is sourced from PubChem (CID 105490420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).