2-(3,4-difluorophenyl)-N-(thiolan-3-yl)oxolan-3-amine

C14H17F2NOS — CID 84596449

IUPAC2-(3,4-difluorophenyl)-N-(thiolan-3-yl)oxolan-3-amine
SMILESFc1ccc(C2OCCC2NC2CCSC2)cc1F
InChIInChI=1S/C14H17F2NOS/c15-11-2-1-9(7-12(11)16)14-13(3-5-18-14)17-10-4-6-19-8-10/h1-2,7,10,13-14,17H,3-6,8H2
InChIKeyFGBOGUBBDCVFKJ-UHFFFAOYSA-N
MW285.36 g/mol
LogP2.89
Rot. Bonds3

About 2-(3,4-difluorophenyl)-N-(thiolan-3-yl)oxolan-3-amine

2-(3,4-difluorophenyl)-N-(thiolan-3-yl)oxolan-3-amine (PubChem CID 84596449) has the molecular formula C14H17F2NOS and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-(thiolan-3-yl)oxolan-3-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-(thiolan-3-yl)oxolan-3-amine
PubChem CID84596449
Molecular FormulaC14H17F2NOS
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name2-(3,4-difluorophenyl)-N-(thiolan-3-yl)oxolan-3-amine
SMILESFc1ccc(C2OCCC2NC2CCSC2)cc1F
InChIInChI=1S/C14H17F2NOS/c15-11-2-1-9(7-12(11)16)14-13(3-5-18-14)17-10-4-6-19-8-10/h1-2,7,10,13-14,17H,3-6,8H2
InChIKeyFGBOGUBBDCVFKJ-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-(thiolan-3-yl)oxolan-3-amine?
The IUPAC name of 2-(3,4-difluorophenyl)-N-(thiolan-3-yl)oxolan-3-amine (CID 84596449) is 2-(3,4-difluorophenyl)-N-(thiolan-3-yl)oxolan-3-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-(thiolan-3-yl)oxolan-3-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-(thiolan-3-yl)oxolan-3-amine is Fc1ccc(C2OCCC2NC2CCSC2)cc1F.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-(thiolan-3-yl)oxolan-3-amine?
The InChIKey is FGBOGUBBDCVFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NOS/c15-11-2-1-9(7-12(11)16)14-13(3-5-18-14)17-10-4-6-19-8-10/h1-2,7,10,13-14,17H,3-6,8H2.
What are the key properties of 2-(3,4-difluorophenyl)-N-(thiolan-3-yl)oxolan-3-amine?
2-(3,4-difluorophenyl)-N-(thiolan-3-yl)oxolan-3-amine has a molecular weight of 285.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-(thiolan-3-yl)oxolan-3-amine is sourced from PubChem (CID 84596449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).