3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine

C8H16FNS — CID 106427514

IUPAC3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine
SMILESC=CCSCCNCCCF
InChIInChI=1S/C8H16FNS/c1-2-7-11-8-6-10-5-3-4-9/h2,10H,1,3-8H2
InChIKeyXBOOREWEXAKZFQ-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.85
Rot. Bonds8

About 3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine

3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine (PubChem CID 106427514) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine
PubChem CID106427514
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine
SMILESC=CCSCCNCCCF
InChIInChI=1S/C8H16FNS/c1-2-7-11-8-6-10-5-3-4-9/h2,10H,1,3-8H2
InChIKeyXBOOREWEXAKZFQ-UHFFFAOYSA-N
XLogP1.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427472
2,2,2-trifluoro-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427545
4,4,4-trifluoro-N-(2-prop-2-enylsulfanylethyl)butan-1-amine
CID 106427682
2,2-difluoro-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427794
3,3,3-trifluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine
CID 106427931
2-prop-2-enylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106428159
1-methylsulfanylbutane;N-prop-2-enylpropan-1-amine
CID 141979838
N-ethyl-3-prop-1-en-2-ylsulfanylpropan-1-amine
CID 163669100
1-prop-2-enylsulfanyl-N-(1-prop-2-enylsulfanylprop-2-enyl)prop-2-en-1-amine
CID 173474477
N-ethyl-3-prop-2-enylsulfanylpropan-1-amine
CID 13493114
N-(2-tert-butylsulfanylethyl)prop-2-en-1-amine
CID 62577332
N-(2-butan-2-ylsulfanylethyl)prop-2-en-1-amine
CID 62577346

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine?
The IUPAC name of 3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine (CID 106427514) is 3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine.
What is the SMILES notation for 3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine?
The canonical SMILES for 3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine is C=CCSCCNCCCF.
What is the InChIKey of 3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine?
The InChIKey is XBOOREWEXAKZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c1-2-7-11-8-6-10-5-3-4-9/h2,10H,1,3-8H2.
What are the key properties of 3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine?
3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 1.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine is sourced from PubChem (CID 106427514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).