4-fluoro-N-propylaniline

C9H12FN — CID 22669157

IUPAC4-fluoro-N-propylaniline
SMILESCCCNc1ccc(F)cc1
InChIInChI=1S/C9H12FN/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6,11H,2,7H2,1H3
InChIKeyCPBZXHWWPFPWMN-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.65
Rot. Bonds3

About 4-fluoro-N-propylaniline

4-fluoro-N-propylaniline (PubChem CID 22669157) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 4-fluoro-N-propylaniline.

Molecular Properties

Compound Name4-fluoro-N-propylaniline
PubChem CID22669157
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name4-fluoro-N-propylaniline
SMILESCCCNc1ccc(F)cc1
InChIInChI=1S/C9H12FN/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6,11H,2,7H2,1H3
InChIKeyCPBZXHWWPFPWMN-UHFFFAOYSA-N
XLogP2.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-propylaniline?
The IUPAC name of 4-fluoro-N-propylaniline (CID 22669157) is 4-fluoro-N-propylaniline.
What is the SMILES notation for 4-fluoro-N-propylaniline?
The canonical SMILES for 4-fluoro-N-propylaniline is CCCNc1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-propylaniline?
The InChIKey is CPBZXHWWPFPWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6,11H,2,7H2,1H3.
What are the key properties of 4-fluoro-N-propylaniline?
4-fluoro-N-propylaniline has a molecular weight of 153.20 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-propylaniline is sourced from PubChem (CID 22669157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).