1,1-difluoro-N-(thiophen-3-ylmethyl)propan-2-amine

C8H11F2NS — CID 102869537

IUPAC1,1-difluoro-N-(thiophen-3-ylmethyl)propan-2-amine
SMILESCC(NCc1ccsc1)C(F)F
InChIInChI=1S/C8H11F2NS/c1-6(8(9)10)11-4-7-2-3-12-5-7/h2-3,5-6,8,11H,4H2,1H3
InChIKeyCZZKZQZCLJKQNO-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.49
Rot. Bonds4

About 1,1-difluoro-N-(thiophen-3-ylmethyl)propan-2-amine

1,1-difluoro-N-(thiophen-3-ylmethyl)propan-2-amine (PubChem CID 102869537) has the molecular formula C8H11F2NS and a molecular weight of 191.25 g/mol. Its IUPAC name is 1,1-difluoro-N-(thiophen-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-(thiophen-3-ylmethyl)propan-2-amine
PubChem CID102869537
Molecular FormulaC8H11F2NS
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name1,1-difluoro-N-(thiophen-3-ylmethyl)propan-2-amine
SMILESCC(NCc1ccsc1)C(F)F
InChIInChI=1S/C8H11F2NS/c1-6(8(9)10)11-4-7-2-3-12-5-7/h2-3,5-6,8,11H,4H2,1H3
InChIKeyCZZKZQZCLJKQNO-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(thiophen-3-ylmethyl)propan-2-amine?
The IUPAC name of 1,1-difluoro-N-(thiophen-3-ylmethyl)propan-2-amine (CID 102869537) is 1,1-difluoro-N-(thiophen-3-ylmethyl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-(thiophen-3-ylmethyl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-(thiophen-3-ylmethyl)propan-2-amine is CC(NCc1ccsc1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(thiophen-3-ylmethyl)propan-2-amine?
The InChIKey is CZZKZQZCLJKQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NS/c1-6(8(9)10)11-4-7-2-3-12-5-7/h2-3,5-6,8,11H,4H2,1H3.
What are the key properties of 1,1-difluoro-N-(thiophen-3-ylmethyl)propan-2-amine?
1,1-difluoro-N-(thiophen-3-ylmethyl)propan-2-amine has a molecular weight of 191.25 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(thiophen-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 102869537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).