5-(2-fluoroethyl)thiocan-3-amine

C9H18FNS — CID 166774050

IUPAC5-(2-fluoroethyl)thiocan-3-amine
SMILESNC1CSCCCC(CCF)C1
InChIInChI=1S/C9H18FNS/c10-4-3-8-2-1-5-12-7-9(11)6-8/h8-9H,1-7,11H2
InChIKeyGHJDHLCRYSHFCY-UHFFFAOYSA-N
MW191.31 g/mol
LogP2.21
Rot. Bonds2

About 5-(2-fluoroethyl)thiocan-3-amine

5-(2-fluoroethyl)thiocan-3-amine (PubChem CID 166774050) has the molecular formula C9H18FNS and a molecular weight of 191.31 g/mol. Its IUPAC name is 5-(2-fluoroethyl)thiocan-3-amine.

Molecular Properties

Compound Name5-(2-fluoroethyl)thiocan-3-amine
PubChem CID166774050
Molecular FormulaC9H18FNS
Molecular Weight191.31 g/mol
Exact Mass191.11
IUPAC Name5-(2-fluoroethyl)thiocan-3-amine
SMILESNC1CSCCCC(CCF)C1
InChIInChI=1S/C9H18FNS/c10-4-3-8-2-1-5-12-7-9(11)6-8/h8-9H,1-7,11H2
InChIKeyGHJDHLCRYSHFCY-UHFFFAOYSA-N
XLogP2.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethyl)thiocan-3-amine?
The IUPAC name of 5-(2-fluoroethyl)thiocan-3-amine (CID 166774050) is 5-(2-fluoroethyl)thiocan-3-amine.
What is the SMILES notation for 5-(2-fluoroethyl)thiocan-3-amine?
The canonical SMILES for 5-(2-fluoroethyl)thiocan-3-amine is NC1CSCCCC(CCF)C1.
What is the InChIKey of 5-(2-fluoroethyl)thiocan-3-amine?
The InChIKey is GHJDHLCRYSHFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNS/c10-4-3-8-2-1-5-12-7-9(11)6-8/h8-9H,1-7,11H2.
What are the key properties of 5-(2-fluoroethyl)thiocan-3-amine?
5-(2-fluoroethyl)thiocan-3-amine has a molecular weight of 191.31 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethyl)thiocan-3-amine is sourced from PubChem (CID 166774050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).