5-(5-fluoro-2,3-dihydrothiophen-2-yl)-2-methylpentan-2-amine

C10H18FNS — CID 70940274

IUPAC5-(5-fluoro-2,3-dihydrothiophen-2-yl)-2-methylpentan-2-amine
SMILESCC(C)(N)CCCC1CC=C(F)S1
InChIInChI=1S/C10H18FNS/c1-10(2,12)7-3-4-8-5-6-9(11)13-8/h6,8H,3-5,7,12H2,1-2H3
InChIKeyREXXPTFLBIBEMA-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.21
Rot. Bonds4

About 5-(5-fluoro-2,3-dihydrothiophen-2-yl)-2-methylpentan-2-amine

5-(5-fluoro-2,3-dihydrothiophen-2-yl)-2-methylpentan-2-amine (PubChem CID 70940274) has the molecular formula C10H18FNS and a molecular weight of 203.33 g/mol. Its IUPAC name is 5-(5-fluoro-2,3-dihydrothiophen-2-yl)-2-methylpentan-2-amine.

Molecular Properties

Compound Name5-(5-fluoro-2,3-dihydrothiophen-2-yl)-2-methylpentan-2-amine
PubChem CID70940274
Molecular FormulaC10H18FNS
Molecular Weight203.33 g/mol
Exact Mass203.11
IUPAC Name5-(5-fluoro-2,3-dihydrothiophen-2-yl)-2-methylpentan-2-amine
SMILESCC(C)(N)CCCC1CC=C(F)S1
InChIInChI=1S/C10H18FNS/c1-10(2,12)7-3-4-8-5-6-9(11)13-8/h6,8H,3-5,7,12H2,1-2H3
InChIKeyREXXPTFLBIBEMA-UHFFFAOYSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2,3-dihydrothiophen-2-yl)-2-methylpentan-2-amine?
The IUPAC name of 5-(5-fluoro-2,3-dihydrothiophen-2-yl)-2-methylpentan-2-amine (CID 70940274) is 5-(5-fluoro-2,3-dihydrothiophen-2-yl)-2-methylpentan-2-amine.
What is the SMILES notation for 5-(5-fluoro-2,3-dihydrothiophen-2-yl)-2-methylpentan-2-amine?
The canonical SMILES for 5-(5-fluoro-2,3-dihydrothiophen-2-yl)-2-methylpentan-2-amine is CC(C)(N)CCCC1CC=C(F)S1.
What is the InChIKey of 5-(5-fluoro-2,3-dihydrothiophen-2-yl)-2-methylpentan-2-amine?
The InChIKey is REXXPTFLBIBEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNS/c1-10(2,12)7-3-4-8-5-6-9(11)13-8/h6,8H,3-5,7,12H2,1-2H3.
What are the key properties of 5-(5-fluoro-2,3-dihydrothiophen-2-yl)-2-methylpentan-2-amine?
5-(5-fluoro-2,3-dihydrothiophen-2-yl)-2-methylpentan-2-amine has a molecular weight of 203.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2,3-dihydrothiophen-2-yl)-2-methylpentan-2-amine is sourced from PubChem (CID 70940274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).