1-(4-ethylsulfanylphenyl)-3-fluoropropan-2-amine

C11H16FNS — CID 129313511

IUPAC1-(4-ethylsulfanylphenyl)-3-fluoropropan-2-amine
SMILESCCSc1ccc(CC(N)CF)cc1
InChIInChI=1S/C11H16FNS/c1-2-14-11-5-3-9(4-6-11)7-10(13)8-12/h3-6,10H,2,7-8,13H2,1H3
InChIKeyWWZSSRRVSWBAMX-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.64
Rot. Bonds5

About 1-(4-ethylsulfanylphenyl)-3-fluoropropan-2-amine

1-(4-ethylsulfanylphenyl)-3-fluoropropan-2-amine (PubChem CID 129313511) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(4-ethylsulfanylphenyl)-3-fluoropropan-2-amine.

Molecular Properties

Compound Name1-(4-ethylsulfanylphenyl)-3-fluoropropan-2-amine
PubChem CID129313511
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name1-(4-ethylsulfanylphenyl)-3-fluoropropan-2-amine
SMILESCCSc1ccc(CC(N)CF)cc1
InChIInChI=1S/C11H16FNS/c1-2-14-11-5-3-9(4-6-11)7-10(13)8-12/h3-6,10H,2,7-8,13H2,1H3
InChIKeyWWZSSRRVSWBAMX-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylphenyl)-3-fluoropropan-2-amine?
The IUPAC name of 1-(4-ethylsulfanylphenyl)-3-fluoropropan-2-amine (CID 129313511) is 1-(4-ethylsulfanylphenyl)-3-fluoropropan-2-amine.
What is the SMILES notation for 1-(4-ethylsulfanylphenyl)-3-fluoropropan-2-amine?
The canonical SMILES for 1-(4-ethylsulfanylphenyl)-3-fluoropropan-2-amine is CCSc1ccc(CC(N)CF)cc1.
What is the InChIKey of 1-(4-ethylsulfanylphenyl)-3-fluoropropan-2-amine?
The InChIKey is WWZSSRRVSWBAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-2-14-11-5-3-9(4-6-11)7-10(13)8-12/h3-6,10H,2,7-8,13H2,1H3.
What are the key properties of 1-(4-ethylsulfanylphenyl)-3-fluoropropan-2-amine?
1-(4-ethylsulfanylphenyl)-3-fluoropropan-2-amine has a molecular weight of 213.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylphenyl)-3-fluoropropan-2-amine is sourced from PubChem (CID 129313511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).