N-butyl-3-(difluoromethoxy)aniline

C11H15F2NO — CID 43699124

IUPACN-butyl-3-(difluoromethoxy)aniline
SMILESCCCCNc1cccc(OC(F)F)c1
InChIInChI=1S/C11H15F2NO/c1-2-3-7-14-9-5-4-6-10(8-9)15-11(12)13/h4-6,8,11,14H,2-3,7H2,1H3
InChIKeyRLFSSDQDDXAINS-UHFFFAOYSA-N
MW215.24 g/mol
LogP3.50
Rot. Bonds6

About N-butyl-3-(difluoromethoxy)aniline

N-butyl-3-(difluoromethoxy)aniline (PubChem CID 43699124) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is N-butyl-3-(difluoromethoxy)aniline.

Molecular Properties

Compound NameN-butyl-3-(difluoromethoxy)aniline
PubChem CID43699124
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC NameN-butyl-3-(difluoromethoxy)aniline
SMILESCCCCNc1cccc(OC(F)F)c1
InChIInChI=1S/C11H15F2NO/c1-2-3-7-14-9-5-4-6-10(8-9)15-11(12)13/h4-6,8,11,14H,2-3,7H2,1H3
InChIKeyRLFSSDQDDXAINS-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 53.50
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

3-(difluoromethoxy)-N-hexylaniline
CID 43698714
3-(difluoromethoxy)-N-(4-methylsulfanylbutyl)aniline
CID 103087523
N-butyl-4-(difluoromethoxy)aniline
CID 28623906
3-(difluoromethoxy)-N-(2-methylpropyl)aniline
CID 43698814
N-butyl-3-(2-methylpropoxy)aniline
CID 54800101
3-(difluoromethoxy)-N-heptan-4-ylaniline
CID 43698946
N-hexyl-3-methoxyaniline
CID 15500485
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)aniline
CID 55233867
3-(difluoromethoxy)-N-(2-phenylethyl)aniline
CID 43698801
3-butoxy-N-octylaniline
CID 54800685
N-butyl-3-(2-ethoxyethoxy)aniline
CID 54801731
3-[3-(difluoromethoxy)anilino]-2,2-dimethylpropan-1-ol
CID 81412020

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(difluoromethoxy)aniline?
The IUPAC name of N-butyl-3-(difluoromethoxy)aniline (CID 43699124) is N-butyl-3-(difluoromethoxy)aniline.
What is the SMILES notation for N-butyl-3-(difluoromethoxy)aniline?
The canonical SMILES for N-butyl-3-(difluoromethoxy)aniline is CCCCNc1cccc(OC(F)F)c1.
What is the InChIKey of N-butyl-3-(difluoromethoxy)aniline?
The InChIKey is RLFSSDQDDXAINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-2-3-7-14-9-5-4-6-10(8-9)15-11(12)13/h4-6,8,11,14H,2-3,7H2,1H3.
What are the key properties of N-butyl-3-(difluoromethoxy)aniline?
N-butyl-3-(difluoromethoxy)aniline has a molecular weight of 215.24 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(difluoromethoxy)aniline is sourced from PubChem (CID 43699124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).