4-butyl-2,5-difluoroaniline

C10H13F2N — CID 107616102

IUPAC4-butyl-2,5-difluoroaniline
SMILESCCCCc1cc(F)c(N)cc1F
InChIInChI=1S/C10H13F2N/c1-2-3-4-7-5-9(12)10(13)6-8(7)11/h5-6H,2-4,13H2,1H3
InChIKeyONLPSLRXUGVWMT-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.89
Rot. Bonds3

About 4-butyl-2,5-difluoroaniline

4-butyl-2,5-difluoroaniline (PubChem CID 107616102) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 4-butyl-2,5-difluoroaniline.

Molecular Properties

Compound Name4-butyl-2,5-difluoroaniline
PubChem CID107616102
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name4-butyl-2,5-difluoroaniline
SMILESCCCCc1cc(F)c(N)cc1F
InChIInChI=1S/C10H13F2N/c1-2-3-4-7-5-9(12)10(13)6-8(7)11/h5-6H,2-4,13H2,1H3
InChIKeyONLPSLRXUGVWMT-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.89
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

1-butyl-4-[4-[4-(4-butyl-2,5-difluorophenyl)-2,5-difluorophenyl]-2,5-difluorophenyl]-2,5-difluorobenzene
CID 59906802
5-bromo-2-butyl-4-fluoroaniline
CID 130537993
1,4-difluoro-2-methyl-5-pentylbenzene
CID 58718854
(2,5-difluoro-4-pentylphenyl)boronic acid
CID 54088623
5-butyl-4-fluoro-2-methylphenol
CID 118092181
4-fluoro-3-octylaniline
CID 70083692
2-fluoro-4-pentylaniline
CID 146198864
(3-butyl-4-fluorophenyl)-trimethylsilane
CID 15292812
1-butyl-4-[2-[4-[2-(4-butyl-3-fluorophenyl)ethynyl]phenyl]ethynyl]-2-fluorobenzene
CID 22112211
4-fluoro-2-heptylaniline
CID 67191637
2,4-difluoro-1-pentylbenzene
CID 20770613
5-bromo-4-butyl-2-methylaniline
CID 130538000

Frequently Asked Questions

What is the IUPAC name of 4-butyl-2,5-difluoroaniline?
The IUPAC name of 4-butyl-2,5-difluoroaniline (CID 107616102) is 4-butyl-2,5-difluoroaniline.
What is the SMILES notation for 4-butyl-2,5-difluoroaniline?
The canonical SMILES for 4-butyl-2,5-difluoroaniline is CCCCc1cc(F)c(N)cc1F.
What is the InChIKey of 4-butyl-2,5-difluoroaniline?
The InChIKey is ONLPSLRXUGVWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-2-3-4-7-5-9(12)10(13)6-8(7)11/h5-6H,2-4,13H2,1H3.
What are the key properties of 4-butyl-2,5-difluoroaniline?
4-butyl-2,5-difluoroaniline has a molecular weight of 185.22 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,5-difluoroaniline is sourced from PubChem (CID 107616102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).