2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-amine

C9H6BrF6N — CID 135039667

IUPAC2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-amine
SMILESNC(c1ccc(Br)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H6BrF6N/c10-6-3-1-5(2-4-6)7(17,8(11,12)13)9(14,15)16/h1-4H,17H2
InChIKeyYXWSAPNFXSKQAF-UHFFFAOYSA-N
MW322.05 g/mol
LogP3.73
Rot. Bonds1

About 2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-amine

2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-amine (PubChem CID 135039667) has the molecular formula C9H6BrF6N and a molecular weight of 322.05 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-amine
PubChem CID135039667
Molecular FormulaC9H6BrF6N
Molecular Weight322.05 g/mol
Exact Mass320.96
IUPAC Name2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-amine
SMILESNC(c1ccc(Br)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H6BrF6N/c10-6-3-1-5(2-4-6)7(17,8(11,12)13)9(14,15)16/h1-4H,17H2
InChIKeyYXWSAPNFXSKQAF-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.05
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-amine?
The IUPAC name of 2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-amine (CID 135039667) is 2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-amine.
What is the SMILES notation for 2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-amine?
The canonical SMILES for 2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-amine is NC(c1ccc(Br)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-amine?
The InChIKey is YXWSAPNFXSKQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF6N/c10-6-3-1-5(2-4-6)7(17,8(11,12)13)9(14,15)16/h1-4H,17H2.
What are the key properties of 2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-amine?
2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-amine has a molecular weight of 322.05 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-amine is sourced from PubChem (CID 135039667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).