3-ethylsulfanyl-2,2-difluoropropan-1-amine;hydrochloride

C5H12ClF2NS — CID 167737880

IUPAC3-ethylsulfanyl-2,2-difluoropropan-1-amine;hydrochloride
SMILESCCSCC(F)(F)CN.Cl
InChIInChI=1S/C5H11F2NS.ClH/c1-2-9-4-5(6,7)3-8;/h2-4,8H2,1H3;1H
InChIKeyWDRKLKRFRMGKJE-UHFFFAOYSA-N
MW191.67 g/mol
LogP1.76
Rot. Bonds4

About 3-ethylsulfanyl-2,2-difluoropropan-1-amine;hydrochloride

3-ethylsulfanyl-2,2-difluoropropan-1-amine;hydrochloride (PubChem CID 167737880) has the molecular formula C5H12ClF2NS and a molecular weight of 191.67 g/mol. Its IUPAC name is 3-ethylsulfanyl-2,2-difluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-ethylsulfanyl-2,2-difluoropropan-1-amine;hydrochloride
PubChem CID167737880
Molecular FormulaC5H12ClF2NS
Molecular Weight191.67 g/mol
Exact Mass191.03
IUPAC Name3-ethylsulfanyl-2,2-difluoropropan-1-amine;hydrochloride
SMILESCCSCC(F)(F)CN.Cl
InChIInChI=1S/C5H11F2NS.ClH/c1-2-9-4-5(6,7)3-8;/h2-4,8H2,1H3;1H
InChIKeyWDRKLKRFRMGKJE-UHFFFAOYSA-N
XLogP1.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.67
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-2,2-difluoropropan-1-amine;hydrochloride?
The IUPAC name of 3-ethylsulfanyl-2,2-difluoropropan-1-amine;hydrochloride (CID 167737880) is 3-ethylsulfanyl-2,2-difluoropropan-1-amine;hydrochloride.
What is the SMILES notation for 3-ethylsulfanyl-2,2-difluoropropan-1-amine;hydrochloride?
The canonical SMILES for 3-ethylsulfanyl-2,2-difluoropropan-1-amine;hydrochloride is CCSCC(F)(F)CN.Cl.
What is the InChIKey of 3-ethylsulfanyl-2,2-difluoropropan-1-amine;hydrochloride?
The InChIKey is WDRKLKRFRMGKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NS.ClH/c1-2-9-4-5(6,7)3-8;/h2-4,8H2,1H3;1H.
What are the key properties of 3-ethylsulfanyl-2,2-difluoropropan-1-amine;hydrochloride?
3-ethylsulfanyl-2,2-difluoropropan-1-amine;hydrochloride has a molecular weight of 191.67 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-2,2-difluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 167737880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).