[2-methoxy-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine

C8H10F5NOS — CID 66523622

IUPAC[2-methoxy-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine
SMILESCOc1ccc(S(F)(F)(F)(F)F)cc1CN
InChIInChI=1S/C8H10F5NOS/c1-15-8-3-2-7(4-6(8)5-14)16(9,10,11,12)13/h2-4H,5,14H2,1H3
InChIKeyCLSXJWHAORRDSS-UHFFFAOYSA-N
MW263.23 g/mol
LogP3.81
Rot. Bonds3

About [2-methoxy-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine

[2-methoxy-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine (PubChem CID 66523622) has the molecular formula C8H10F5NOS and a molecular weight of 263.23 g/mol. Its IUPAC name is [2-methoxy-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-methoxy-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine
PubChem CID66523622
Molecular FormulaC8H10F5NOS
Molecular Weight263.23 g/mol
Exact Mass263.04
IUPAC Name[2-methoxy-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine
SMILESCOc1ccc(S(F)(F)(F)(F)F)cc1CN
InChIInChI=1S/C8H10F5NOS/c1-15-8-3-2-7(4-6(8)5-14)16(9,10,11,12)13/h2-4H,5,14H2,1H3
InChIKeyCLSXJWHAORRDSS-UHFFFAOYSA-N
XLogP3.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
CID 89164345
CID 89164345
(3-bromo-4-methoxyphenyl)-pentafluoro-λ6-sulfane
CID 56960566
[2-methoxy-5-(methylsulfinylmethyl)phenyl]methanamine
CID 81332900
(5-tert-butyl-2-methoxyphenyl)methanamine
CID 82075869
[5-(2-bromopropan-2-yl)-2-methoxyphenyl]methanamine
CID 155398742
[5-(3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 54911914
[5-(4-chloro-3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 172653750
[5-(2-fluorophenyl)-2-methoxyphenyl]methanamine;hydrochloride
CID 171037272
[2-(3,5-dimethoxyphenoxy)-5-fluorophenyl]methanamine
CID 43589964
(3-methoxynaphthalen-2-yl)methanamine
CID 82504350
[5-(benzylsulfinylmethyl)-2-methoxyphenyl]methanamine
CID 81329220

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine?
The IUPAC name of [2-methoxy-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine (CID 66523622) is [2-methoxy-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine.
What is the SMILES notation for [2-methoxy-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine?
The canonical SMILES for [2-methoxy-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine is COc1ccc(S(F)(F)(F)(F)F)cc1CN.
What is the InChIKey of [2-methoxy-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine?
The InChIKey is CLSXJWHAORRDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5NOS/c1-15-8-3-2-7(4-6(8)5-14)16(9,10,11,12)13/h2-4H,5,14H2,1H3.
What are the key properties of [2-methoxy-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine?
[2-methoxy-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine has a molecular weight of 263.23 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine is sourced from PubChem (CID 66523622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).