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

C8H15F2NS — CID 105449345

IUPAC1,1-difluoro-1-(thian-4-yl)propan-2-amine
SMILESCC(N)C(F)(F)C1CCSCC1
InChIInChI=1S/C8H15F2NS/c1-6(11)8(9,10)7-2-4-12-5-3-7/h6-7H,2-5,11H2,1H3
InChIKeyOPTVOXPHJBCKHF-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.11
Rot. Bonds2

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

1,1-difluoro-1-(thian-4-yl)propan-2-amine (PubChem CID 105449345) has the molecular formula C8H15F2NS and a molecular weight of 195.28 g/mol. Its IUPAC name is 1,1-difluoro-1-(thian-4-yl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-1-(thian-4-yl)propan-2-amine
PubChem CID105449345
Molecular FormulaC8H15F2NS
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name1,1-difluoro-1-(thian-4-yl)propan-2-amine
SMILESCC(N)C(F)(F)C1CCSCC1
InChIInChI=1S/C8H15F2NS/c1-6(11)8(9,10)7-2-4-12-5-3-7/h6-7H,2-5,11H2,1H3
InChIKeyOPTVOXPHJBCKHF-UHFFFAOYSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 1,1-difluoro-1-(thian-4-yl)propan-2-amine?
The IUPAC name of 1,1-difluoro-1-(thian-4-yl)propan-2-amine (CID 105449345) is 1,1-difluoro-1-(thian-4-yl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-1-(thian-4-yl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-1-(thian-4-yl)propan-2-amine is CC(N)C(F)(F)C1CCSCC1.
What is the InChIKey of 1,1-difluoro-1-(thian-4-yl)propan-2-amine?
The InChIKey is OPTVOXPHJBCKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NS/c1-6(11)8(9,10)7-2-4-12-5-3-7/h6-7H,2-5,11H2,1H3.
What are the key properties of 1,1-difluoro-1-(thian-4-yl)propan-2-amine?
1,1-difluoro-1-(thian-4-yl)propan-2-amine has a molecular weight of 195.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(thian-4-yl)propan-2-amine is sourced from PubChem (CID 105449345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).