[3-chloro-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine;hydrochloride

C7H8Cl2F5NS — CID 172883217

IUPAC[3-chloro-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1cc(Cl)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C7H7ClF5NS.ClH/c8-6-1-5(4-14)2-7(3-6)15(9,10,11,12)13;/h1-3H,4,14H2;1H
InChIKeyPOIBCPTYOXBGAQ-UHFFFAOYSA-N
MW304.11 g/mol
LogP4.88
Rot. Bonds2

About [3-chloro-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine;hydrochloride

[3-chloro-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine;hydrochloride (PubChem CID 172883217) has the molecular formula C7H8Cl2F5NS and a molecular weight of 304.11 g/mol. Its IUPAC name is [3-chloro-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-chloro-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine;hydrochloride
PubChem CID172883217
Molecular FormulaC7H8Cl2F5NS
Molecular Weight304.11 g/mol
Exact Mass302.97
IUPAC Name[3-chloro-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine;hydrochloride
SMILESCl.NCc1cc(Cl)cc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C7H7ClF5NS.ClH/c8-6-1-5(4-14)2-7(3-6)15(9,10,11,12)13;/h1-3H,4,14H2;1H
InChIKeyPOIBCPTYOXBGAQ-UHFFFAOYSA-N
XLogP4.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.11
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine;hydrochloride?
The IUPAC name of [3-chloro-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine;hydrochloride (CID 172883217) is [3-chloro-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [3-chloro-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [3-chloro-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine;hydrochloride is Cl.NCc1cc(Cl)cc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of [3-chloro-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine;hydrochloride?
The InChIKey is POIBCPTYOXBGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF5NS.ClH/c8-6-1-5(4-14)2-7(3-6)15(9,10,11,12)13;/h1-3H,4,14H2;1H.
What are the key properties of [3-chloro-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine;hydrochloride?
[3-chloro-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine;hydrochloride has a molecular weight of 304.11 g/mol, XLogP of 4.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(pentafluoro-λ6-sulfanyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 172883217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).