2,5-difluoro-N-hexylaniline

C12H17F2N — CID 28877091

IUPAC2,5-difluoro-N-hexylaniline
SMILESCCCCCCNc1cc(F)ccc1F
InChIInChI=1S/C12H17F2N/c1-2-3-4-5-8-15-12-9-10(13)6-7-11(12)14/h6-7,9,15H,2-5,8H2,1H3
InChIKeySUHMQPDPIGMJPF-UHFFFAOYSA-N
MW213.27 g/mol
LogP3.96
Rot. Bonds6

About 2,5-difluoro-N-hexylaniline

2,5-difluoro-N-hexylaniline (PubChem CID 28877091) has the molecular formula C12H17F2N and a molecular weight of 213.27 g/mol. Its IUPAC name is 2,5-difluoro-N-hexylaniline.

Molecular Properties

Compound Name2,5-difluoro-N-hexylaniline
PubChem CID28877091
Molecular FormulaC12H17F2N
Molecular Weight213.27 g/mol
Exact Mass213.13
IUPAC Name2,5-difluoro-N-hexylaniline
SMILESCCCCCCNc1cc(F)ccc1F
InChIInChI=1S/C12H17F2N/c1-2-3-4-5-8-15-12-9-10(13)6-7-11(12)14/h6-7,9,15H,2-5,8H2,1H3
InChIKeySUHMQPDPIGMJPF-UHFFFAOYSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-N-nonylaniline
CID 43129325
4-fluoro-N-heptyl-2-methylaniline
CID 43129346
N-dodecyl-4-fluoro-2-methylaniline
CID 63489528
4-fluoro-N-hexyl-2-methylaniline
CID 28877875
4-fluoro-3-(heptylamino)benzoic acid
CID 43728150
4-chloro-2-fluoro-N-heptylaniline
CID 43716552
methyl 6-(2,5-difluoroanilino)hexanoate
CID 82538918
N-butyl-2-fluoro-5-methylaniline
CID 28877664
4-fluoro-N-heptylaniline
CID 43129312
2-fluoro-5-nitro-N-pentylaniline
CID 43718990
2,5-difluoro-N-nonan-2-ylaniline
CID 43129763
methyl 4-fluoro-3-(pentylamino)benzoate
CID 43684380

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-hexylaniline?
The IUPAC name of 2,5-difluoro-N-hexylaniline (CID 28877091) is 2,5-difluoro-N-hexylaniline.
What is the SMILES notation for 2,5-difluoro-N-hexylaniline?
The canonical SMILES for 2,5-difluoro-N-hexylaniline is CCCCCCNc1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-hexylaniline?
The InChIKey is SUHMQPDPIGMJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N/c1-2-3-4-5-8-15-12-9-10(13)6-7-11(12)14/h6-7,9,15H,2-5,8H2,1H3.
What are the key properties of 2,5-difluoro-N-hexylaniline?
2,5-difluoro-N-hexylaniline has a molecular weight of 213.27 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-hexylaniline is sourced from PubChem (CID 28877091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).