3,5-difluoro-4-propoxybenzenecarboximidamide

C10H12F2N2O — CID 81293988

IUPAC3,5-difluoro-4-propoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(OCCC)c(F)c1
InChIInChI=1S/C10H12F2N2O/c1-2-3-15-9-7(11)4-6(10(13)14)5-8(9)12/h4-5H,2-3H2,1H3,(H3,13,14)
InChIKeyIGPSLWMQNZVCAQ-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.04
Rot. Bonds4

About 3,5-difluoro-4-propoxybenzenecarboximidamide

3,5-difluoro-4-propoxybenzenecarboximidamide (PubChem CID 81293988) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is 3,5-difluoro-4-propoxybenzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-4-propoxybenzenecarboximidamide
PubChem CID81293988
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name3,5-difluoro-4-propoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(OCCC)c(F)c1
InChIInChI=1S/C10H12F2N2O/c1-2-3-15-9-7(11)4-6(10(13)14)5-8(9)12/h4-5H,2-3H2,1H3,(H3,13,14)
InChIKeyIGPSLWMQNZVCAQ-UHFFFAOYSA-N
XLogP2.04
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.04
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'}

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Related Compounds

3,5-difluoro-4-(2-propan-2-yloxyethoxy)benzenecarboximidamide
CID 81293857
3,5-difluoro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402805
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3,5-difluorobenzenecarboximidamide
CID 102740176
3,5-difluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide
CID 81293376
3,5-difluoro-4-(2-pyridin-2-ylethoxy)benzenecarboximidamide
CID 81293475
4-(diethylamino)-3,5-difluorobenzenecarboximidamide
CID 81293229
4-[ethyl(methyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81293235
4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293862
3-methoxy-4-propoxybenzenecarboximidamide
CID 24709016
3,5-difluoro-4-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 81293387
4-[2-(2,6-difluorophenoxy)ethoxy]benzenecarboximidamide
CID 81264863
3,5-difluoro-4-[pentyl(propan-2-yl)amino]benzenecarboximidamide
CID 81294671

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-propoxybenzenecarboximidamide?
The IUPAC name of 3,5-difluoro-4-propoxybenzenecarboximidamide (CID 81293988) is 3,5-difluoro-4-propoxybenzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-4-propoxybenzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-4-propoxybenzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(OCCC)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-propoxybenzenecarboximidamide?
The InChIKey is IGPSLWMQNZVCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-2-3-15-9-7(11)4-6(10(13)14)5-8(9)12/h4-5H,2-3H2,1H3,(H3,13,14).
What are the key properties of 3,5-difluoro-4-propoxybenzenecarboximidamide?
3,5-difluoro-4-propoxybenzenecarboximidamide has a molecular weight of 214.22 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-propoxybenzenecarboximidamide is sourced from PubChem (CID 81293988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).