[2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]phenyl]methanamine

C14H13F2NOS — CID 107120145

IUPAC[2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]phenyl]methanamine
SMILESNCc1cccc(CS(=O)c2ccccc2F)c1F
InChIInChI=1S/C14H13F2NOS/c15-12-6-1-2-7-13(12)19(18)9-11-5-3-4-10(8-17)14(11)16/h1-7H,8-9,17H2
InChIKeyZOOYDYHKNYZAQQ-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.73
Rot. Bonds4

About [2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]phenyl]methanamine

[2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]phenyl]methanamine (PubChem CID 107120145) has the molecular formula C14H13F2NOS and a molecular weight of 281.33 g/mol. Its IUPAC name is [2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]phenyl]methanamine
PubChem CID107120145
Molecular FormulaC14H13F2NOS
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name[2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]phenyl]methanamine
SMILESNCc1cccc(CS(=O)c2ccccc2F)c1F
InChIInChI=1S/C14H13F2NOS/c15-12-6-1-2-7-13(12)19(18)9-11-5-3-4-10(8-17)14(11)16/h1-7H,8-9,17H2
InChIKeyZOOYDYHKNYZAQQ-UHFFFAOYSA-N
XLogP2.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]benzene
CID 102862309
2-[(2-fluorophenyl)sulfinylmethyl]aniline
CID 61302612
3-fluoro-2-[(2-fluorophenyl)sulfinylmethyl]aniline
CID 55201728
(2,3-difluorophenyl)methanamine
CID 2736941
methyl 2-[2-[(2-fluorophenyl)sulfinylmethyl]phenyl]acetate
CID 115463232
[2-fluoro-3-[(4-propan-2-ylphenyl)sulfinylmethyl]phenyl]methanamine
CID 107120148
[3-[(3,4-dimethylphenyl)sulfinylmethyl]-2-fluorophenyl]methanamine
CID 107120141
[2-fluoro-3-(3-methylbutylsulfinylmethyl)phenyl]methanamine
CID 107767482
[2-[(2-bromophenyl)sulfinylmethyl]-4-fluorophenyl]methanamine
CID 81329052
[2-[(2-chlorophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine
CID 81329605
[2-[(2-bromophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine
CID 81328755
1-[(2-fluorophenyl)sulfinylmethyl]-3,5-dimethylbenzene
CID 63791578

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]phenyl]methanamine (CID 107120145) is [2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]phenyl]methanamine is NCc1cccc(CS(=O)c2ccccc2F)c1F.
What is the InChIKey of [2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]phenyl]methanamine?
The InChIKey is ZOOYDYHKNYZAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NOS/c15-12-6-1-2-7-13(12)19(18)9-11-5-3-4-10(8-17)14(11)16/h1-7H,8-9,17H2.
What are the key properties of [2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]phenyl]methanamine?
[2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]phenyl]methanamine has a molecular weight of 281.33 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 [2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]phenyl]methanamine is sourced from PubChem (CID 107120145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).