2-(difluoromethoxy)-N-hexylaniline

C13H19F2NO — CID 28877775

IUPAC2-(difluoromethoxy)-N-hexylaniline
SMILESCCCCCCNc1ccccc1OC(F)F
InChIInChI=1S/C13H19F2NO/c1-2-3-4-7-10-16-11-8-5-6-9-12(11)17-13(14)15/h5-6,8-9,13,16H,2-4,7,10H2,1H3
InChIKeyPUYZJXXKBADFOI-UHFFFAOYSA-N
MW243.30 g/mol
LogP4.28
Rot. Bonds8

About 2-(difluoromethoxy)-N-hexylaniline

2-(difluoromethoxy)-N-hexylaniline (PubChem CID 28877775) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-hexylaniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-hexylaniline
PubChem CID28877775
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name2-(difluoromethoxy)-N-hexylaniline
SMILESCCCCCCNc1ccccc1OC(F)F
InChIInChI=1S/C13H19F2NO/c1-2-3-4-7-10-16-11-8-5-6-9-12(11)17-13(14)15/h5-6,8-9,13,16H,2-4,7,10H2,1H3
InChIKeyPUYZJXXKBADFOI-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-2-(difluoromethoxy)aniline
CID 63489062
2-(difluoromethoxy)-N-(4-phenylbutyl)aniline
CID 114333183
2-ethoxy-N-nonylaniline
CID 43129179
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
3-(difluoromethoxy)-N-hexylaniline
CID 43698714
2-(difluoromethoxy)-N-(3-phenoxypropyl)aniline
CID 60679690
[2-(pentylamino)phenyl] propanoate
CID 90097401
butyl 2-[2-(difluoromethoxy)anilino]acetate
CID 60679734
2-(difluoromethoxy)-N-(2-methylbutyl)aniline
CID 43097160
N-(2,2-difluoroethyl)-2-(difluoromethoxy)aniline
CID 60922273
2-(2-ethoxyethoxy)-N-hexylaniline
CID 54801767
4-(difluoromethoxy)-3-fluoro-N-octylaniline
CID 63449455

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-hexylaniline?
The IUPAC name of 2-(difluoromethoxy)-N-hexylaniline (CID 28877775) is 2-(difluoromethoxy)-N-hexylaniline.
What is the SMILES notation for 2-(difluoromethoxy)-N-hexylaniline?
The canonical SMILES for 2-(difluoromethoxy)-N-hexylaniline is CCCCCCNc1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-hexylaniline?
The InChIKey is PUYZJXXKBADFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-2-3-4-7-10-16-11-8-5-6-9-12(11)17-13(14)15/h5-6,8-9,13,16H,2-4,7,10H2,1H3.
What are the key properties of 2-(difluoromethoxy)-N-hexylaniline?
2-(difluoromethoxy)-N-hexylaniline has a molecular weight of 243.30 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-hexylaniline is sourced from PubChem (CID 28877775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).