2-bromo-6-chloro-4-(1,1,1,2-tetrafluoropropan-2-yl)aniline

C9H7BrClF4N — CID 118445858

IUPAC2-bromo-6-chloro-4-(1,1,1,2-tetrafluoropropan-2-yl)aniline
SMILESCC(F)(c1cc(Cl)c(N)c(Br)c1)C(F)(F)F
InChIInChI=1S/C9H7BrClF4N/c1-8(12,9(13,14)15)4-2-5(10)7(16)6(11)3-4/h2-3H,16H2,1H3
InChIKeyCZUBCISCNCXKEF-UHFFFAOYSA-N
MW320.51 g/mol
LogP4.43
Rot. Bonds1

About 2-bromo-6-chloro-4-(1,1,1,2-tetrafluoropropan-2-yl)aniline

2-bromo-6-chloro-4-(1,1,1,2-tetrafluoropropan-2-yl)aniline (PubChem CID 118445858) has the molecular formula C9H7BrClF4N and a molecular weight of 320.51 g/mol. Its IUPAC name is 2-bromo-6-chloro-4-(1,1,1,2-tetrafluoropropan-2-yl)aniline.

Molecular Properties

Compound Name2-bromo-6-chloro-4-(1,1,1,2-tetrafluoropropan-2-yl)aniline
PubChem CID118445858
Molecular FormulaC9H7BrClF4N
Molecular Weight320.51 g/mol
Exact Mass318.94
IUPAC Name2-bromo-6-chloro-4-(1,1,1,2-tetrafluoropropan-2-yl)aniline
SMILESCC(F)(c1cc(Cl)c(N)c(Br)c1)C(F)(F)F
InChIInChI=1S/C9H7BrClF4N/c1-8(12,9(13,14)15)4-2-5(10)7(16)6(11)3-4/h2-3H,16H2,1H3
InChIKeyCZUBCISCNCXKEF-UHFFFAOYSA-N
XLogP4.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-4-(1,1,1,2-tetrafluoropropan-2-yl)aniline?
The IUPAC name of 2-bromo-6-chloro-4-(1,1,1,2-tetrafluoropropan-2-yl)aniline (CID 118445858) is 2-bromo-6-chloro-4-(1,1,1,2-tetrafluoropropan-2-yl)aniline.
What is the SMILES notation for 2-bromo-6-chloro-4-(1,1,1,2-tetrafluoropropan-2-yl)aniline?
The canonical SMILES for 2-bromo-6-chloro-4-(1,1,1,2-tetrafluoropropan-2-yl)aniline is CC(F)(c1cc(Cl)c(N)c(Br)c1)C(F)(F)F.
What is the InChIKey of 2-bromo-6-chloro-4-(1,1,1,2-tetrafluoropropan-2-yl)aniline?
The InChIKey is CZUBCISCNCXKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClF4N/c1-8(12,9(13,14)15)4-2-5(10)7(16)6(11)3-4/h2-3H,16H2,1H3.
What are the key properties of 2-bromo-6-chloro-4-(1,1,1,2-tetrafluoropropan-2-yl)aniline?
2-bromo-6-chloro-4-(1,1,1,2-tetrafluoropropan-2-yl)aniline has a molecular weight of 320.51 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-4-(1,1,1,2-tetrafluoropropan-2-yl)aniline is sourced from PubChem (CID 118445858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).