2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide

C10H12ClFN2O — CID 114323524

IUPAC2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1OCCCF
InChIInChI=1S/C10H12ClFN2O/c11-7-3-1-4-8(9(7)10(13)14)15-6-2-5-12/h1,3-4H,2,5-6H2,(H3,13,14)
InChIKeySBACMMTYMPIHOR-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.36
Rot. Bonds5

About 2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide

2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide (PubChem CID 114323524) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide
PubChem CID114323524
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1OCCCF
InChIInChI=1S/C10H12ClFN2O/c11-7-3-1-4-8(9(7)10(13)14)15-6-2-5-12/h1,3-4H,2,5-6H2,(H3,13,14)
InChIKeySBACMMTYMPIHOR-UHFFFAOYSA-N
XLogP2.36
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide
CID 112587805
2-chloro-6-(2-ethylsulfonylethoxy)benzenecarboximidamide
CID 113277394
2-chloro-6-(cyclobutylmethoxy)benzenecarboximidamide
CID 114323500
2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323483
2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 114849646
2-chloro-6-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 114323465
2-chloro-6-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 113277398
2-chloro-6-phenoxybenzenecarboximidamide
CID 53416807
2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 62497195
2-[(4-bromothiophen-2-yl)methoxy]-6-chlorobenzenecarboximidamide
CID 113277395
2-chloro-6-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]benzenecarboximidamide
CID 114323489
2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide
CID 62496011

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide (CID 114323524) is 2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1OCCCF.
What is the InChIKey of 2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide?
The InChIKey is SBACMMTYMPIHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c11-7-3-1-4-8(9(7)10(13)14)15-6-2-5-12/h1,3-4H,2,5-6H2,(H3,13,14).
What are the key properties of 2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide?
2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide has a molecular weight of 230.67 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide is sourced from PubChem (CID 114323524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).