5-chloro-N-(2-fluoroethyl)-2-methoxyaniline

C9H11ClFNO — CID 80700235

IUPAC5-chloro-N-(2-fluoroethyl)-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NCCF
InChIInChI=1S/C9H11ClFNO/c1-13-9-3-2-7(10)6-8(9)12-5-4-11/h2-3,6,12H,4-5H2,1H3
InChIKeyYSHKKVXISYYIRI-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.73
Rot. Bonds4

About 5-chloro-N-(2-fluoroethyl)-2-methoxyaniline

5-chloro-N-(2-fluoroethyl)-2-methoxyaniline (PubChem CID 80700235) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 5-chloro-N-(2-fluoroethyl)-2-methoxyaniline.

Molecular Properties

Compound Name5-chloro-N-(2-fluoroethyl)-2-methoxyaniline
PubChem CID80700235
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name5-chloro-N-(2-fluoroethyl)-2-methoxyaniline
SMILESCOc1ccc(Cl)cc1NCCF
InChIInChI=1S/C9H11ClFNO/c1-13-9-3-2-7(10)6-8(9)12-5-4-11/h2-3,6,12H,4-5H2,1H3
InChIKeyYSHKKVXISYYIRI-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(3-fluoropropyl)-2-methoxyaniline
CID 81106313
N-(2-fluoroethyl)-2-methoxy-5-methylaniline
CID 80699786
5-chloro-2-methoxy-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451352
5-(5-chloro-2-methoxyanilino)pentanenitrile
CID 60678778
N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
CID 119385515
5-chloro-N-(2-ethylbutyl)-2-methoxyaniline
CID 29289314
2-bromo-5-chloro-N-(2-fluoroethyl)aniline
CID 81280084
N-(1-amino-2-methylpropan-2-yl)-3-(5-chloro-2-methoxyanilino)propanamide
CID 119525101
5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
CID 65022123
3-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 109038111
N-(3-chloro-4-methoxyphenyl)-N'-(5-chloro-2-methylphenyl)ethane-1,2-diamine
CID 54808244
3-(5-chloro-2-methoxyanilino)-N-(2,6-difluorophenyl)propanamide
CID 109039179

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-fluoroethyl)-2-methoxyaniline?
The IUPAC name of 5-chloro-N-(2-fluoroethyl)-2-methoxyaniline (CID 80700235) is 5-chloro-N-(2-fluoroethyl)-2-methoxyaniline.
What is the SMILES notation for 5-chloro-N-(2-fluoroethyl)-2-methoxyaniline?
The canonical SMILES for 5-chloro-N-(2-fluoroethyl)-2-methoxyaniline is COc1ccc(Cl)cc1NCCF.
What is the InChIKey of 5-chloro-N-(2-fluoroethyl)-2-methoxyaniline?
The InChIKey is YSHKKVXISYYIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-13-9-3-2-7(10)6-8(9)12-5-4-11/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 5-chloro-N-(2-fluoroethyl)-2-methoxyaniline?
5-chloro-N-(2-fluoroethyl)-2-methoxyaniline has a molecular weight of 203.64 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-fluoroethyl)-2-methoxyaniline is sourced from PubChem (CID 80700235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).