N'-[3,5-bis(trifluoromethyl)phenyl]-2-chloroethanimidamide

C10H7ClF6N2 — CID 169369581

IUPACN'-[3,5-bis(trifluoromethyl)phenyl]-2-chloroethanimidamide
SMILESN/C(CCl)=N/c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H7ClF6N2/c11-4-8(18)19-7-2-5(9(12,13)14)1-6(3-7)10(15,16)17/h1-3H,4H2,(H2,18,19)
InChIKeyXXNYOUATQUGTTG-UHFFFAOYSA-N
MW304.62 g/mol
LogP3.95
Rot. Bonds2

About N'-[3,5-bis(trifluoromethyl)phenyl]-2-chloroethanimidamide

N'-[3,5-bis(trifluoromethyl)phenyl]-2-chloroethanimidamide (PubChem CID 169369581) has the molecular formula C10H7ClF6N2 and a molecular weight of 304.62 g/mol. Its IUPAC name is N'-[3,5-bis(trifluoromethyl)phenyl]-2-chloroethanimidamide.

Molecular Properties

Compound NameN'-[3,5-bis(trifluoromethyl)phenyl]-2-chloroethanimidamide
PubChem CID169369581
Molecular FormulaC10H7ClF6N2
Molecular Weight304.62 g/mol
Exact Mass304.02
IUPAC NameN'-[3,5-bis(trifluoromethyl)phenyl]-2-chloroethanimidamide
SMILESN/C(CCl)=N/c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H7ClF6N2/c11-4-8(18)19-7-2-5(9(12,13)14)1-6(3-7)10(15,16)17/h1-3H,4H2,(H2,18,19)
InChIKeyXXNYOUATQUGTTG-UHFFFAOYSA-N
XLogP3.95
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.62
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N'-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169369186
N-(1-amino-2-chloroethylidene)-3,5-bis(trifluoromethyl)benzamide
CID 14346364
2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide
CID 169367099
2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide
CID 169365215
N'-[4-bromo-3-(trifluoromethyl)phenyl]-2-chloroethanimidamide
CID 169364970
[(Z)-(1-amino-2-chloroethylidene)amino] 3,5-bis(trifluoromethyl)benzoate
CID 6165270
2-chloro-N'-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]ethanimidamide
CID 169367812
2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169366173
[N'-[3,5-bis(trifluoromethyl)phenyl]carbamimidoyl]-(diaminomethylidene)azanium chloride
CID 135410038
2-chloro-N'-[2-cyano-6-iodo-4-(trifluoromethyl)phenyl]ethanimidamide
CID 169366449
2-chloro-N'-[2-(sulfanylmethyl)-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169368162
2-chloro-N'-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]phenyl]ethanimidamide
CID 169367697

Frequently Asked Questions

What is the IUPAC name of N'-[3,5-bis(trifluoromethyl)phenyl]-2-chloroethanimidamide?
The IUPAC name of N'-[3,5-bis(trifluoromethyl)phenyl]-2-chloroethanimidamide (CID 169369581) is N'-[3,5-bis(trifluoromethyl)phenyl]-2-chloroethanimidamide.
What is the SMILES notation for N'-[3,5-bis(trifluoromethyl)phenyl]-2-chloroethanimidamide?
The canonical SMILES for N'-[3,5-bis(trifluoromethyl)phenyl]-2-chloroethanimidamide is N/C(CCl)=N/c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N'-[3,5-bis(trifluoromethyl)phenyl]-2-chloroethanimidamide?
The InChIKey is XXNYOUATQUGTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF6N2/c11-4-8(18)19-7-2-5(9(12,13)14)1-6(3-7)10(15,16)17/h1-3H,4H2,(H2,18,19).
What are the key properties of N'-[3,5-bis(trifluoromethyl)phenyl]-2-chloroethanimidamide?
N'-[3,5-bis(trifluoromethyl)phenyl]-2-chloroethanimidamide has a molecular weight of 304.62 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3,5-bis(trifluoromethyl)phenyl]-2-chloroethanimidamide is sourced from PubChem (CID 169369581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).