1-(4-bromo-2-chlorophenyl)-1,1-difluoropropan-2-amine

C9H9BrClF2N — CID 91926577

IUPAC1-(4-bromo-2-chlorophenyl)-1,1-difluoropropan-2-amine
SMILESCC(N)C(F)(F)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H9BrClF2N/c1-5(14)9(12,13)7-3-2-6(10)4-8(7)11/h2-5H,14H2,1H3
InChIKeySCAUZXCXKQXYDQ-UHFFFAOYSA-N
MW284.53 g/mol
LogP3.54
Rot. Bonds2

About 1-(4-bromo-2-chlorophenyl)-1,1-difluoropropan-2-amine

1-(4-bromo-2-chlorophenyl)-1,1-difluoropropan-2-amine (PubChem CID 91926577) has the molecular formula C9H9BrClF2N and a molecular weight of 284.53 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-1,1-difluoropropan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-1,1-difluoropropan-2-amine
PubChem CID91926577
Molecular FormulaC9H9BrClF2N
Molecular Weight284.53 g/mol
Exact Mass282.96
IUPAC Name1-(4-bromo-2-chlorophenyl)-1,1-difluoropropan-2-amine
SMILESCC(N)C(F)(F)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H9BrClF2N/c1-5(14)9(12,13)7-3-2-6(10)4-8(7)11/h2-5H,14H2,1H3
InChIKeySCAUZXCXKQXYDQ-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.53
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2R)-2-(4-bromo-2-chloro-5-fluorophenyl)cyclopropan-1-amine
CID 168280482
cis-(1R,2R)-2-(4-bromo-2-chloro-5-fluorophenyl)cyclopropan-1-amine
CID 168292181
(4-Bromo-2-chlorophenyl)methanamine
CID 25258775
1-(4-Bromo-2-chlorophenyl)methanamine hydrochloride
CID 53407889
2-(4-Bromo-2-chlorophenyl)-2,2-difluoroethan-1-amine hydrochloride
CID 134690956
(R)-1-(4-Bromo-2-chlorophenyl)ethan-1-amine hydrochloride
CID 155288058
[2-(4-Bromo-2-chlorophenyl)ethyl]dimethylamine
CID 164751067
2-[(4-Bromo-2-chloro-6-fluorophenyl)methyl]pyrrolidine
CID 57146204
2-(2-Bromo-4-chlorophenyl)-2-fluoroethan-1-amine
CID 57445061
(R)-N-((S)-1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl)-2-methylpropane-2-sulfinamide
CID 57691004
2-(2-Bromo-4-chlorophenyl)ethanamine
CID 58244638
(S)-N-[(1R)-1-(4-bromo-2-chlorophenyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 59843029

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-1,1-difluoropropan-2-amine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-1,1-difluoropropan-2-amine (CID 91926577) is 1-(4-bromo-2-chlorophenyl)-1,1-difluoropropan-2-amine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-1,1-difluoropropan-2-amine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-1,1-difluoropropan-2-amine is CC(N)C(F)(F)c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-1,1-difluoropropan-2-amine?
The InChIKey is SCAUZXCXKQXYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClF2N/c1-5(14)9(12,13)7-3-2-6(10)4-8(7)11/h2-5H,14H2,1H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-1,1-difluoropropan-2-amine?
1-(4-bromo-2-chlorophenyl)-1,1-difluoropropan-2-amine has a molecular weight of 284.53 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-1,1-difluoropropan-2-amine is sourced from PubChem (CID 91926577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).