2-[3-(1-fluoroethyl)thian-3-yl]ethanamine

C9H18FNS — CID 115018806

IUPAC2-[3-(1-fluoroethyl)thian-3-yl]ethanamine
SMILESCC(F)C1(CCN)CCCSC1
InChIInChI=1S/C9H18FNS/c1-8(10)9(4-5-11)3-2-6-12-7-9/h8H,2-7,11H2,1H3
InChIKeyWGKMNWXCHLXGDE-UHFFFAOYSA-N
MW191.31 g/mol
LogP2.21
Rot. Bonds3

About 2-[3-(1-fluoroethyl)thian-3-yl]ethanamine

2-[3-(1-fluoroethyl)thian-3-yl]ethanamine (PubChem CID 115018806) has the molecular formula C9H18FNS and a molecular weight of 191.31 g/mol. Its IUPAC name is 2-[3-(1-fluoroethyl)thian-3-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(1-fluoroethyl)thian-3-yl]ethanamine
PubChem CID115018806
Molecular FormulaC9H18FNS
Molecular Weight191.31 g/mol
Exact Mass191.11
IUPAC Name2-[3-(1-fluoroethyl)thian-3-yl]ethanamine
SMILESCC(F)C1(CCN)CCCSC1
InChIInChI=1S/C9H18FNS/c1-8(10)9(4-5-11)3-2-6-12-7-9/h8H,2-7,11H2,1H3
InChIKeyWGKMNWXCHLXGDE-UHFFFAOYSA-N
XLogP2.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

2-(3-Fluorothian-3-yl)ethanamine
CID 84731544
2-(3-fluorothian-3-yl)-N-methylethanamine
CID 84732157
2-(4-Fluorothian-3-yl)ethanamine
CID 84764719
[3-(Fluoromethyl)thian-3-yl]methanamine
CID 84764720
2-Fluoro-2-(thian-3-yl)ethan-1-amine
CID 105432263
1-(3-Fluorothian-3-yl)ethanamine
CID 105432269
1-Fluoro-1-(thian-3-yl)propan-2-amine
CID 105437217
1-Fluoro-1-(thian-4-yl)propan-2-amine
CID 105437218
2-Fluoro-2-(thian-3-yl)propan-1-amine
CID 105437220
3-(3-Fluorothian-4-yl)propan-1-amine
CID 105437225
3-Fluoro-3-(thian-4-yl)propan-1-amine
CID 105437226
3-Fluoro-3-(thian-3-yl)propan-1-amine
CID 105437227

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-fluoroethyl)thian-3-yl]ethanamine?
The IUPAC name of 2-[3-(1-fluoroethyl)thian-3-yl]ethanamine (CID 115018806) is 2-[3-(1-fluoroethyl)thian-3-yl]ethanamine.
What is the SMILES notation for 2-[3-(1-fluoroethyl)thian-3-yl]ethanamine?
The canonical SMILES for 2-[3-(1-fluoroethyl)thian-3-yl]ethanamine is CC(F)C1(CCN)CCCSC1.
What is the InChIKey of 2-[3-(1-fluoroethyl)thian-3-yl]ethanamine?
The InChIKey is WGKMNWXCHLXGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNS/c1-8(10)9(4-5-11)3-2-6-12-7-9/h8H,2-7,11H2,1H3.
What are the key properties of 2-[3-(1-fluoroethyl)thian-3-yl]ethanamine?
2-[3-(1-fluoroethyl)thian-3-yl]ethanamine has a molecular weight of 191.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-fluoroethyl)thian-3-yl]ethanamine is sourced from PubChem (CID 115018806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).