5-chloro-4-fluoro-2-(2-fluoropropyl)aniline

C9H10ClF2N — CID 170986717

IUPAC5-chloro-4-fluoro-2-(2-fluoropropyl)aniline
SMILESCC(F)Cc1cc(F)c(Cl)cc1N
InChIInChI=1S/C9H10ClF2N/c1-5(11)2-6-3-8(12)7(10)4-9(6)13/h3-5H,2,13H2,1H3
InChIKeyDOPRHRXETIBSTD-UHFFFAOYSA-N
MW205.64 g/mol
LogP2.96
Rot. Bonds2

About 5-chloro-4-fluoro-2-(2-fluoropropyl)aniline

5-chloro-4-fluoro-2-(2-fluoropropyl)aniline (PubChem CID 170986717) has the molecular formula C9H10ClF2N and a molecular weight of 205.64 g/mol. Its IUPAC name is 5-chloro-4-fluoro-2-(2-fluoropropyl)aniline.

Molecular Properties

Compound Name5-chloro-4-fluoro-2-(2-fluoropropyl)aniline
PubChem CID170986717
Molecular FormulaC9H10ClF2N
Molecular Weight205.64 g/mol
Exact Mass205.05
IUPAC Name5-chloro-4-fluoro-2-(2-fluoropropyl)aniline
SMILESCC(F)Cc1cc(F)c(Cl)cc1N
InChIInChI=1S/C9H10ClF2N/c1-5(11)2-6-3-8(12)7(10)4-9(6)13/h3-5H,2,13H2,1H3
InChIKeyDOPRHRXETIBSTD-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4-(2-amino-4-chloro-5-fluoroanilino)butan-2-ol
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CID 104867950

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-2-(2-fluoropropyl)aniline?
The IUPAC name of 5-chloro-4-fluoro-2-(2-fluoropropyl)aniline (CID 170986717) is 5-chloro-4-fluoro-2-(2-fluoropropyl)aniline.
What is the SMILES notation for 5-chloro-4-fluoro-2-(2-fluoropropyl)aniline?
The canonical SMILES for 5-chloro-4-fluoro-2-(2-fluoropropyl)aniline is CC(F)Cc1cc(F)c(Cl)cc1N.
What is the InChIKey of 5-chloro-4-fluoro-2-(2-fluoropropyl)aniline?
The InChIKey is DOPRHRXETIBSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N/c1-5(11)2-6-3-8(12)7(10)4-9(6)13/h3-5H,2,13H2,1H3.
What are the key properties of 5-chloro-4-fluoro-2-(2-fluoropropyl)aniline?
5-chloro-4-fluoro-2-(2-fluoropropyl)aniline has a molecular weight of 205.64 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-2-(2-fluoropropyl)aniline is sourced from PubChem (CID 170986717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).