2-(3,3-difluorocyclopentyl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine

C14H25F2NS — CID 114225729

IUPAC2-(3,3-difluorocyclopentyl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine
SMILESCCNC(CC1CCC(F)(F)C1)C1(C)CCCS1
InChIInChI=1S/C14H25F2NS/c1-3-17-12(13(2)6-4-8-18-13)9-11-5-7-14(15,16)10-11/h11-12,17H,3-10H2,1-2H3
InChIKeyHZWIKQLHAFBKKP-UHFFFAOYSA-N
MW277.42 g/mol
LogP4.08
Rot. Bonds5

About 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine

2-(3,3-difluorocyclopentyl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine (PubChem CID 114225729) has the molecular formula C14H25F2NS and a molecular weight of 277.42 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine
PubChem CID114225729
Molecular FormulaC14H25F2NS
Molecular Weight277.42 g/mol
Exact Mass277.17
IUPAC Name2-(3,3-difluorocyclopentyl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine
SMILESCCNC(CC1CCC(F)(F)C1)C1(C)CCCS1
InChIInChI=1S/C14H25F2NS/c1-3-17-12(13(2)6-4-8-18-13)9-11-5-7-14(15,16)10-11/h11-12,17H,3-10H2,1-2H3
InChIKeyHZWIKQLHAFBKKP-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine (CID 114225729) is 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine is CCNC(CC1CCC(F)(F)C1)C1(C)CCCS1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine?
The InChIKey is HZWIKQLHAFBKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NS/c1-3-17-12(13(2)6-4-8-18-13)9-11-5-7-14(15,16)10-11/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine?
2-(3,3-difluorocyclopentyl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine has a molecular weight of 277.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-N-ethyl-1-(2-methylthiolan-2-yl)ethanamine is sourced from PubChem (CID 114225729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).