[3-(2-fluoroethylsulfonyl)phenyl]methanamine

C9H12FNO2S — CID 84682681

IUPAC[3-(2-fluoroethylsulfonyl)phenyl]methanamine
SMILESNCc1cccc(S(=O)(=O)CCF)c1
InChIInChI=1S/C9H12FNO2S/c10-4-5-14(12,13)9-3-1-2-8(6-9)7-11/h1-3,6H,4-5,7,11H2
InChIKeySFEBBZOHULASOR-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.89
Rot. Bonds4

About [3-(2-fluoroethylsulfonyl)phenyl]methanamine

[3-(2-fluoroethylsulfonyl)phenyl]methanamine (PubChem CID 84682681) has the molecular formula C9H12FNO2S and a molecular weight of 217.26 g/mol. Its IUPAC name is [3-(2-fluoroethylsulfonyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-fluoroethylsulfonyl)phenyl]methanamine
PubChem CID84682681
Molecular FormulaC9H12FNO2S
Molecular Weight217.26 g/mol
Exact Mass217.06
IUPAC Name[3-(2-fluoroethylsulfonyl)phenyl]methanamine
SMILESNCc1cccc(S(=O)(=O)CCF)c1
InChIInChI=1S/C9H12FNO2S/c10-4-5-14(12,13)9-3-1-2-8(6-9)7-11/h1-3,6H,4-5,7,11H2
InChIKeySFEBBZOHULASOR-UHFFFAOYSA-N
XLogP0.89
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-fluoropropylsulfonyl)phenyl]methanamine
CID 84694590
(3-propylsulfonylphenyl)methanamine
CID 83926717
[3-(2,2-difluoropropylsulfonyl)phenyl]methanamine
CID 84706979
3-(2-fluoroethylsulfonyl)phenol
CID 84672154
2-fluoroethylsulfonylbenzene
CID 66796542
[3-[2-(3-methylbutan-2-ylsulfinyl)ethylsulfonyl]phenyl]methanamine
CID 107767054
[3-[2-(oxetan-3-yloxy)ethylsulfonyl]phenyl]methanamine
CID 102605751
[3-[2-(2-methylbutylsulfanyl)ethylsulfonyl]phenyl]methanamine
CID 107752285
3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115406483
2-[3-(2-chloroethylsulfonyl)phenyl]ethanamine
CID 19105498
[4-(3-fluoropropylsulfonyl)phenyl]methanamine
CID 84694587
[3-(4-methylphenyl)sulfonylphenyl]methanamine
CID 117036589

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoroethylsulfonyl)phenyl]methanamine?
The IUPAC name of [3-(2-fluoroethylsulfonyl)phenyl]methanamine (CID 84682681) is [3-(2-fluoroethylsulfonyl)phenyl]methanamine.
What is the SMILES notation for [3-(2-fluoroethylsulfonyl)phenyl]methanamine?
The canonical SMILES for [3-(2-fluoroethylsulfonyl)phenyl]methanamine is NCc1cccc(S(=O)(=O)CCF)c1.
What is the InChIKey of [3-(2-fluoroethylsulfonyl)phenyl]methanamine?
The InChIKey is SFEBBZOHULASOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c10-4-5-14(12,13)9-3-1-2-8(6-9)7-11/h1-3,6H,4-5,7,11H2.
What are the key properties of [3-(2-fluoroethylsulfonyl)phenyl]methanamine?
[3-(2-fluoroethylsulfonyl)phenyl]methanamine has a molecular weight of 217.26 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoroethylsulfonyl)phenyl]methanamine is sourced from PubChem (CID 84682681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).