N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-2,5-dimethylbenzenecarboximidamide

C18H20F2N2 — CID 123871489

IUPACN'-[[4-(1,1-difluoroethyl)phenyl]methyl]-2,5-dimethylbenzenecarboximidamide
SMILESCc1ccc(C)c(/C(N)=N/Cc2ccc(C(C)(F)F)cc2)c1
InChIInChI=1S/C18H20F2N2/c1-12-4-5-13(2)16(10-12)17(21)22-11-14-6-8-15(9-7-14)18(3,19)20/h4-10H,11H2,1-3H3,(H2,21,22)
InChIKeyGVADCUXIEIKBEE-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.32
Rot. Bonds4

About N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-2,5-dimethylbenzenecarboximidamide

N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-2,5-dimethylbenzenecarboximidamide (PubChem CID 123871489) has the molecular formula C18H20F2N2 and a molecular weight of 302.37 g/mol. Its IUPAC name is N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-2,5-dimethylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[[4-(1,1-difluoroethyl)phenyl]methyl]-2,5-dimethylbenzenecarboximidamide
PubChem CID123871489
Molecular FormulaC18H20F2N2
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN'-[[4-(1,1-difluoroethyl)phenyl]methyl]-2,5-dimethylbenzenecarboximidamide
SMILESCc1ccc(C)c(/C(N)=N/Cc2ccc(C(C)(F)F)cc2)c1
InChIInChI=1S/C18H20F2N2/c1-12-4-5-13(2)16(10-12)17(21)22-11-14-6-8-15(9-7-14)18(3,19)20/h4-10H,11H2,1-3H3,(H2,21,22)
InChIKeyGVADCUXIEIKBEE-UHFFFAOYSA-N
XLogP4.32
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-2,5-dimethylbenzenecarboximidamide?
The IUPAC name of N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-2,5-dimethylbenzenecarboximidamide (CID 123871489) is N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-2,5-dimethylbenzenecarboximidamide.
What is the SMILES notation for N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-2,5-dimethylbenzenecarboximidamide?
The canonical SMILES for N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-2,5-dimethylbenzenecarboximidamide is Cc1ccc(C)c(/C(N)=N/Cc2ccc(C(C)(F)F)cc2)c1.
What is the InChIKey of N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-2,5-dimethylbenzenecarboximidamide?
The InChIKey is GVADCUXIEIKBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2/c1-12-4-5-13(2)16(10-12)17(21)22-11-14-6-8-15(9-7-14)18(3,19)20/h4-10H,11H2,1-3H3,(H2,21,22).
What are the key properties of N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-2,5-dimethylbenzenecarboximidamide?
N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-2,5-dimethylbenzenecarboximidamide has a molecular weight of 302.37 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(1,1-difluoroethyl)phenyl]methyl]-2,5-dimethylbenzenecarboximidamide is sourced from PubChem (CID 123871489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).