3-chloro-N-(2,2-dimethoxyethyl)-5-fluoroaniline

C10H13ClFNO2 — CID 107364290

IUPAC3-chloro-N-(2,2-dimethoxyethyl)-5-fluoroaniline
SMILESCOC(CNc1cc(F)cc(Cl)c1)OC
InChIInChI=1S/C10H13ClFNO2/c1-14-10(15-2)6-13-9-4-7(11)3-8(12)5-9/h3-5,10,13H,6H2,1-2H3
InChIKeySKCTYYYSIGKPLD-UHFFFAOYSA-N
MW233.67 g/mol
LogP2.51
Rot. Bonds5

About 3-chloro-N-(2,2-dimethoxyethyl)-5-fluoroaniline

3-chloro-N-(2,2-dimethoxyethyl)-5-fluoroaniline (PubChem CID 107364290) has the molecular formula C10H13ClFNO2 and a molecular weight of 233.67 g/mol. Its IUPAC name is 3-chloro-N-(2,2-dimethoxyethyl)-5-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-(2,2-dimethoxyethyl)-5-fluoroaniline
PubChem CID107364290
Molecular FormulaC10H13ClFNO2
Molecular Weight233.67 g/mol
Exact Mass233.06
IUPAC Name3-chloro-N-(2,2-dimethoxyethyl)-5-fluoroaniline
SMILESCOC(CNc1cc(F)cc(Cl)c1)OC
InChIInChI=1S/C10H13ClFNO2/c1-14-10(15-2)6-13-9-4-7(11)3-8(12)5-9/h3-5,10,13H,6H2,1-2H3
InChIKeySKCTYYYSIGKPLD-UHFFFAOYSA-N
XLogP2.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethoxyethyl)-3,5-difluoroaniline
CID 63686979
2-(3-chloro-5-fluoroanilino)-1-(4-methoxyphenyl)ethanol
CID 107365116
ethyl 3-(3-chloro-5-fluoroanilino)-2-methylpropanoate
CID 107364733
3-chloro-5-fluoro-N-(3-methoxybutan-2-yl)aniline
CID 115928758
1-N-(3-chloro-5-fluorophenyl)-2-methylpropane-1,2-diamine
CID 130589138
3-chloro-N-decyl-5-fluoroaniline
CID 107365499
2-(3-chloro-5-fluoroanilino)-N-(2-methylpropyl)acetamide
CID 107365239
2-(3-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 107365115
1-(3-chloro-5-fluoroanilino)-3-(2-methylphenoxy)propan-2-ol
CID 107364824
3,5-difluoro-N-(2-methylpropyl)aniline;hydrochloride
CID 47002202
N-(2,2-dimethoxyethyl)-2-fluoropyridin-4-amine
CID 106197172
3-chloro-N-(cyclohexylmethyl)-5-fluoroaniline
CID 107364208

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,2-dimethoxyethyl)-5-fluoroaniline?
The IUPAC name of 3-chloro-N-(2,2-dimethoxyethyl)-5-fluoroaniline (CID 107364290) is 3-chloro-N-(2,2-dimethoxyethyl)-5-fluoroaniline.
What is the SMILES notation for 3-chloro-N-(2,2-dimethoxyethyl)-5-fluoroaniline?
The canonical SMILES for 3-chloro-N-(2,2-dimethoxyethyl)-5-fluoroaniline is COC(CNc1cc(F)cc(Cl)c1)OC.
What is the InChIKey of 3-chloro-N-(2,2-dimethoxyethyl)-5-fluoroaniline?
The InChIKey is SKCTYYYSIGKPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO2/c1-14-10(15-2)6-13-9-4-7(11)3-8(12)5-9/h3-5,10,13H,6H2,1-2H3.
What are the key properties of 3-chloro-N-(2,2-dimethoxyethyl)-5-fluoroaniline?
3-chloro-N-(2,2-dimethoxyethyl)-5-fluoroaniline has a molecular weight of 233.67 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,2-dimethoxyethyl)-5-fluoroaniline is sourced from PubChem (CID 107364290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).