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

C9H10BrF2N — CID 91926944

IUPAC1-(3-bromophenyl)-1,1-difluoropropan-2-amine
SMILESCC(N)C(F)(F)c1cccc(Br)c1
InChIInChI=1S/C9H10BrF2N/c1-6(13)9(11,12)7-3-2-4-8(10)5-7/h2-6H,13H2,1H3
InChIKeyNBGZJUXWNLJANM-UHFFFAOYSA-N
MW250.09 g/mol
LogP2.89
Rot. Bonds2

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

1-(3-bromophenyl)-1,1-difluoropropan-2-amine (PubChem CID 91926944) has the molecular formula C9H10BrF2N and a molecular weight of 250.09 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1,1-difluoropropan-2-amine
PubChem CID91926944
Molecular FormulaC9H10BrF2N
Molecular Weight250.09 g/mol
Exact Mass249.00
IUPAC Name1-(3-bromophenyl)-1,1-difluoropropan-2-amine
SMILESCC(N)C(F)(F)c1cccc(Br)c1
InChIInChI=1S/C9H10BrF2N/c1-6(13)9(11,12)7-3-2-4-8(10)5-7/h2-6H,13H2,1H3
InChIKeyNBGZJUXWNLJANM-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.09
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromophenyl)-3-methylbutan-2-amine
CID 83693037
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1-(5-bromo-2-methylphenyl)-1,1-difluoropropan-2-amine
CID 116839328
1-(3-bromo-4-methoxyphenyl)-1,1-difluoropropan-2-amine
CID 116839256
1-bromo-3-[(3-bromophenyl)-diphenylmethyl]benzene
CID 140824221
chloromethane;(1R)-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanamine
CID 164589400
(2R)-2-(3-bromophenyl)-2-fluoropropan-1-ol
CID 142383072
1-(3-bromophenyl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62787446
2-(3-bromophenyl)but-3-en-2-ol;ethane
CID 90927695
1-bromo-3-(2-isocyanatopropan-2-yl)benzene
CID 21329846
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1,1-difluoropropan-2-amine?
The IUPAC name of 1-(3-bromophenyl)-1,1-difluoropropan-2-amine (CID 91926944) is 1-(3-bromophenyl)-1,1-difluoropropan-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-1,1-difluoropropan-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-1,1-difluoropropan-2-amine is CC(N)C(F)(F)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-1,1-difluoropropan-2-amine?
The InChIKey is NBGZJUXWNLJANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2N/c1-6(13)9(11,12)7-3-2-4-8(10)5-7/h2-6H,13H2,1H3.
What are the key properties of 1-(3-bromophenyl)-1,1-difluoropropan-2-amine?
1-(3-bromophenyl)-1,1-difluoropropan-2-amine has a molecular weight of 250.09 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1,1-difluoropropan-2-amine is sourced from PubChem (CID 91926944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).