4-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide

C11H12F4N2O — CID 29004868

IUPAC4-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCC(F)(F)C(F)F)cc1
InChIInChI=1S/C11H12F4N2O/c12-10(13)11(14,15)6-18-5-7-1-3-8(4-2-7)9(16)17/h1-4,10H,5-6H2,(H3,16,17)
InChIKeyWWIURPJCFKYLIF-UHFFFAOYSA-N
MW264.22 g/mol
LogP2.39
Rot. Bonds6

About 4-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide

4-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide (PubChem CID 29004868) has the molecular formula C11H12F4N2O and a molecular weight of 264.22 g/mol. Its IUPAC name is 4-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide
PubChem CID29004868
Molecular FormulaC11H12F4N2O
Molecular Weight264.22 g/mol
Exact Mass264.09
IUPAC Name4-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COCC(F)(F)C(F)F)cc1
InChIInChI=1S/C11H12F4N2O/c12-10(13)11(14,15)6-18-5-7-1-3-8(4-2-7)9(16)17/h1-4,10H,5-6H2,(H3,16,17)
InChIKeyWWIURPJCFKYLIF-UHFFFAOYSA-N
XLogP2.39
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2,2-trifluoroethoxymethyl)benzenecarboximidamide
CID 24703974
4-(2,2,3,3-tetrafluoropropoxymethyl)benzoic acid
CID 890262
4-(2,2,3,3-tetrafluoropropoxymethyl)aniline
CID 43128658
[4-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]methanamine
CID 43128661
4-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82240742
4-[[4-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide;methane
CID 161112303
3,5-difluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide
CID 81293376
4-(hexoxymethyl)benzenecarboximidamide
CID 29003065
4-[(3-chlorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82253711
acetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 75537360
[1-[(4-carbamimidoylphenyl)methoxy]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid
CID 175136322
4-(2,2,2-trifluoroethoxymethyl)benzenecarbothioamide
CID 24698396

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide?
The IUPAC name of 4-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide (CID 29004868) is 4-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide?
The canonical SMILES for 4-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(COCC(F)(F)C(F)F)cc1.
What is the InChIKey of 4-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide?
The InChIKey is WWIURPJCFKYLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4N2O/c12-10(13)11(14,15)6-18-5-7-1-3-8(4-2-7)9(16)17/h1-4,10H,5-6H2,(H3,16,17).
What are the key properties of 4-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide?
4-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide has a molecular weight of 264.22 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3-tetrafluoropropoxymethyl)benzenecarboximidamide is sourced from PubChem (CID 29004868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).