3-(trifluoromethylsulfanyl)propan-1-amine chloride

C4H8ClF3NS- — CID 75530535

IUPAC3-(trifluoromethylsulfanyl)propan-1-amine chloride
SMILESNCCCSC(F)(F)F.[Cl-]
InChIInChI=1S/C4H8F3NS.ClH/c5-4(6,7)9-3-1-2-8;/h1-3,8H2;1H/p-1
InChIKeyDMIDCCMPHQHIBI-UHFFFAOYSA-M
MW194.63 g/mol
LogP-1.41
Rot. Bonds3

About 3-(trifluoromethylsulfanyl)propan-1-amine chloride

3-(trifluoromethylsulfanyl)propan-1-amine chloride (PubChem CID 75530535) has the molecular formula C4H8ClF3NS- and a molecular weight of 194.63 g/mol. Its IUPAC name is 3-(trifluoromethylsulfanyl)propan-1-amine chloride.

Molecular Properties

Compound Name3-(trifluoromethylsulfanyl)propan-1-amine chloride
PubChem CID75530535
Molecular FormulaC4H8ClF3NS-
Molecular Weight194.63 g/mol
Exact Mass194.00
IUPAC Name3-(trifluoromethylsulfanyl)propan-1-amine chloride
SMILESNCCCSC(F)(F)F.[Cl-]
InChIInChI=1S/C4H8F3NS.ClH/c5-4(6,7)9-3-1-2-8;/h1-3,8H2;1H/p-1
InChIKeyDMIDCCMPHQHIBI-UHFFFAOYSA-M
XLogP-1.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.63
LogP ≤ 5-1.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(trifluoromethylsulfanyl)ethanamine chloride
CID 75530521
1,2-bis(trifluoromethylsulfanyl)ethane
CID 154097976
N'-ethyl-N'-[2-(trifluoromethylsulfanyl)ethyl]ethane-1,2-diamine
CID 103102755
trifluoromethylsulfanylmethanamine
CID 87937224
6-amino-2-[2-(trifluoromethylsulfanyl)ethyl]hexanoic acid
CID 116628344
6-(trifluoromethylsulfanyl)hexan-2-amine
CID 116627201
4-[3-(trifluoromethylsulfanyl)propyl]pyridin-2-amine
CID 116627036
4-chloro-1-(trifluoromethylsulfanyl)pentane
CID 116617359
2-phenyl-5-(trifluoromethylsulfanyl)pentan-1-amine
CID 116628129
3-(3-aminopropylsulfanyl)-3-methylbutan-2-one
CID 118884330
2-amino-N-[2-(trifluoromethylsulfanyl)ethyl]ethanesulfonamide
CID 106427174
10,10,10-trifluorodecan-1-amine
CID 151642080

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylsulfanyl)propan-1-amine chloride?
The IUPAC name of 3-(trifluoromethylsulfanyl)propan-1-amine chloride (CID 75530535) is 3-(trifluoromethylsulfanyl)propan-1-amine chloride.
What is the SMILES notation for 3-(trifluoromethylsulfanyl)propan-1-amine chloride?
The canonical SMILES for 3-(trifluoromethylsulfanyl)propan-1-amine chloride is NCCCSC(F)(F)F.[Cl-].
What is the InChIKey of 3-(trifluoromethylsulfanyl)propan-1-amine chloride?
The InChIKey is DMIDCCMPHQHIBI-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8F3NS.ClH/c5-4(6,7)9-3-1-2-8;/h1-3,8H2;1H/p-1.
What are the key properties of 3-(trifluoromethylsulfanyl)propan-1-amine chloride?
3-(trifluoromethylsulfanyl)propan-1-amine chloride has a molecular weight of 194.63 g/mol, XLogP of -1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylsulfanyl)propan-1-amine chloride is sourced from PubChem (CID 75530535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).