2,6-difluoro-4-propylaniline

C9H11F2N — CID 19781718

IUPAC2,6-difluoro-4-propylaniline
SMILESCCCc1cc(F)c(N)c(F)c1
InChIInChI=1S/C9H11F2N/c1-2-3-6-4-7(10)9(12)8(11)5-6/h4-5H,2-3,12H2,1H3
InChIKeyOFONOIJLLPQEGV-UHFFFAOYSA-N
MW171.19 g/mol
LogP2.50
Rot. Bonds2

About 2,6-difluoro-4-propylaniline

2,6-difluoro-4-propylaniline (PubChem CID 19781718) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is 2,6-difluoro-4-propylaniline.

Molecular Properties

Compound Name2,6-difluoro-4-propylaniline
PubChem CID19781718
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC Name2,6-difluoro-4-propylaniline
SMILESCCCc1cc(F)c(N)c(F)c1
InChIInChI=1S/C9H11F2N/c1-2-3-6-4-7(10)9(12)8(11)5-6/h4-5H,2-3,12H2,1H3
InChIKeyOFONOIJLLPQEGV-UHFFFAOYSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.50
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

2,6-difluoro-4-[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]aniline
CID 134427958
2-(bromomethyl)-1,3-difluoro-5-propylbenzene
CID 142578213
(2,6-difluoro-4-propylphenyl)boronic acid
CID 19783701
1,3-difluoro-5-propylbenzene;fluoromethane
CID 143588669
2,3-difluoro-5-propylphenol;ethane
CID 143889142
1,2-difluoro-4-propylbenzene;methane
CID 160697343
2-bromo-6-fluoro-4-propylphenol
CID 69428563
2-[difluoro(methoxy)methyl]-1,3-difluoro-5-propylbenzene
CID 20705700
4-fluoro-2,6-dipropylaniline
CID 137443416
2-chloro-5-[2-[2,6-difluoro-4-[2-(4-propylphenyl)ethyl]phenyl]ethyl]-1,3-difluorobenzene
CID 139758596
2-fluoro-4-propylbenzamide
CID 175786906
2-chloro-5-[2-[4-[2-(2,6-difluoro-4-propylphenyl)ethyl]phenyl]ethyl]-1,3-difluorobenzene
CID 139758575

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-propylaniline?
The IUPAC name of 2,6-difluoro-4-propylaniline (CID 19781718) is 2,6-difluoro-4-propylaniline.
What is the SMILES notation for 2,6-difluoro-4-propylaniline?
The canonical SMILES for 2,6-difluoro-4-propylaniline is CCCc1cc(F)c(N)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-propylaniline?
The InChIKey is OFONOIJLLPQEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N/c1-2-3-6-4-7(10)9(12)8(11)5-6/h4-5H,2-3,12H2,1H3.
What are the key properties of 2,6-difluoro-4-propylaniline?
2,6-difluoro-4-propylaniline has a molecular weight of 171.19 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-propylaniline is sourced from PubChem (CID 19781718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).