2,2-difluoro-3-(thian-4-yl)propan-1-amine

C8H15F2NS — CID 105449351

IUPAC2,2-difluoro-3-(thian-4-yl)propan-1-amine
SMILESNCC(F)(F)CC1CCSCC1
InChIInChI=1S/C8H15F2NS/c9-8(10,6-11)5-7-1-3-12-4-2-7/h7H,1-6,11H2
InChIKeyNFMBXZDZSBAPHX-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.11
Rot. Bonds3

About 2,2-difluoro-3-(thian-4-yl)propan-1-amine

2,2-difluoro-3-(thian-4-yl)propan-1-amine (PubChem CID 105449351) has the molecular formula C8H15F2NS and a molecular weight of 195.28 g/mol. Its IUPAC name is 2,2-difluoro-3-(thian-4-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-(thian-4-yl)propan-1-amine
PubChem CID105449351
Molecular FormulaC8H15F2NS
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name2,2-difluoro-3-(thian-4-yl)propan-1-amine
SMILESNCC(F)(F)CC1CCSCC1
InChIInChI=1S/C8H15F2NS/c9-8(10,6-11)5-7-1-3-12-4-2-7/h7H,1-6,11H2
InChIKeyNFMBXZDZSBAPHX-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(thian-4-yl)propan-1-amine?
The IUPAC name of 2,2-difluoro-3-(thian-4-yl)propan-1-amine (CID 105449351) is 2,2-difluoro-3-(thian-4-yl)propan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-(thian-4-yl)propan-1-amine?
The canonical SMILES for 2,2-difluoro-3-(thian-4-yl)propan-1-amine is NCC(F)(F)CC1CCSCC1.
What is the InChIKey of 2,2-difluoro-3-(thian-4-yl)propan-1-amine?
The InChIKey is NFMBXZDZSBAPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NS/c9-8(10,6-11)5-7-1-3-12-4-2-7/h7H,1-6,11H2.
What are the key properties of 2,2-difluoro-3-(thian-4-yl)propan-1-amine?
2,2-difluoro-3-(thian-4-yl)propan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(thian-4-yl)propan-1-amine is sourced from PubChem (CID 105449351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).