N'-[4-(difluoromethoxy)phenyl]butanimidamide

C11H14F2N2O — CID 63175701

IUPACN'-[4-(difluoromethoxy)phenyl]butanimidamide
SMILESCCC/C(N)=N\c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H14F2N2O/c1-2-3-10(14)15-8-4-6-9(7-5-8)16-11(12)13/h4-7,11H,2-3H2,1H3,(H2,14,15)
InChIKeyIZGPCAQZUORAAD-UHFFFAOYSA-N
MW228.24 g/mol
LogP3.08
Rot. Bonds5

About N'-[4-(difluoromethoxy)phenyl]butanimidamide

N'-[4-(difluoromethoxy)phenyl]butanimidamide (PubChem CID 63175701) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is N'-[4-(difluoromethoxy)phenyl]butanimidamide.

Molecular Properties

Compound NameN'-[4-(difluoromethoxy)phenyl]butanimidamide
PubChem CID63175701
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC NameN'-[4-(difluoromethoxy)phenyl]butanimidamide
SMILESCCC/C(N)=N\c1ccc(OC(F)F)cc1
InChIInChI=1S/C11H14F2N2O/c1-2-3-10(14)15-8-4-6-9(7-5-8)16-11(12)13/h4-7,11H,2-3H2,1H3,(H2,14,15)
InChIKeyIZGPCAQZUORAAD-UHFFFAOYSA-N
XLogP3.08
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(4-butan-2-yloxyphenyl)-2-chloroethanimidamide
CID 169365680
N'-(4-methoxyphenyl)propanimidamide
CID 63174454
N'-[3-bromo-4-(trifluoromethoxy)phenyl]butanimidamide
CID 107336773
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946
2-chloro-N'-[4-(difluoromethoxy)-3-ethoxyphenyl]ethanimidamide
CID 169367630
ethyl (3R)-3-amino-3-[4-(difluoromethoxy)phenyl]-2-fluoropropanoate;hydrochloride
CID 171241697
2-chloro-N'-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanimidamide
CID 169365366
1-[4-(difluoromethoxy)phenyl]-3-methylbutan-1-one;pentan-2-one
CID 160941742
1-[[4-(difluoromethoxy)phenyl]methyl]-2-ethyl-1-methylguanidine;hydroiodide
CID 111288010
2-[[4-(difluoromethoxy)phenyl]hydrazinylidene]butanamide
CID 175874280
4-(difluoromethoxy)aniline
CID 737363
butyl 2-[4-(difluoromethoxy)phenyl]acetate
CID 113221190

Frequently Asked Questions

What is the IUPAC name of N'-[4-(difluoromethoxy)phenyl]butanimidamide?
The IUPAC name of N'-[4-(difluoromethoxy)phenyl]butanimidamide (CID 63175701) is N'-[4-(difluoromethoxy)phenyl]butanimidamide.
What is the SMILES notation for N'-[4-(difluoromethoxy)phenyl]butanimidamide?
The canonical SMILES for N'-[4-(difluoromethoxy)phenyl]butanimidamide is CCC/C(N)=N\c1ccc(OC(F)F)cc1.
What is the InChIKey of N'-[4-(difluoromethoxy)phenyl]butanimidamide?
The InChIKey is IZGPCAQZUORAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-2-3-10(14)15-8-4-6-9(7-5-8)16-11(12)13/h4-7,11H,2-3H2,1H3,(H2,14,15).
What are the key properties of N'-[4-(difluoromethoxy)phenyl]butanimidamide?
N'-[4-(difluoromethoxy)phenyl]butanimidamide has a molecular weight of 228.24 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(difluoromethoxy)phenyl]butanimidamide is sourced from PubChem (CID 63175701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).