4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-amine

C10H17F2NS — CID 131151211

IUPAC4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-amine
SMILESNC1CSCC1CC1CCCC1(F)F
InChIInChI=1S/C10H17F2NS/c11-10(12)3-1-2-8(10)4-7-5-14-6-9(7)13/h7-9H,1-6,13H2
InChIKeyBATCZECHTAAPQO-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.50
Rot. Bonds2

About 4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-amine

4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-amine (PubChem CID 131151211) has the molecular formula C10H17F2NS and a molecular weight of 221.32 g/mol. Its IUPAC name is 4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-amine.

Molecular Properties

Compound Name4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-amine
PubChem CID131151211
Molecular FormulaC10H17F2NS
Molecular Weight221.32 g/mol
Exact Mass221.10
IUPAC Name4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-amine
SMILESNC1CSCC1CC1CCCC1(F)F
InChIInChI=1S/C10H17F2NS/c11-10(12)3-1-2-8(10)4-7-5-14-6-9(7)13/h7-9H,1-6,13H2
InChIKeyBATCZECHTAAPQO-UHFFFAOYSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-amine?
The IUPAC name of 4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-amine (CID 131151211) is 4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-amine.
What is the SMILES notation for 4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-amine?
The canonical SMILES for 4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-amine is NC1CSCC1CC1CCCC1(F)F.
What is the InChIKey of 4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-amine?
The InChIKey is BATCZECHTAAPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NS/c11-10(12)3-1-2-8(10)4-7-5-14-6-9(7)13/h7-9H,1-6,13H2.
What are the key properties of 4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-amine?
4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-amine has a molecular weight of 221.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-difluorocyclopentyl)methyl]thiolan-3-amine is sourced from PubChem (CID 131151211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).