2,2-difluoro-1-(5-methylthiophen-3-yl)propan-1-amine

C8H11F2NS — CID 130665450

IUPAC2,2-difluoro-1-(5-methylthiophen-3-yl)propan-1-amine
SMILESCc1cc(C(N)C(C)(F)F)cs1
InChIInChI=1S/C8H11F2NS/c1-5-3-6(4-12-5)7(11)8(2,9)10/h3-4,7H,11H2,1-2H3
InChIKeyHKWYLOSJUKLNFG-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.71
Rot. Bonds2

About 2,2-difluoro-1-(5-methylthiophen-3-yl)propan-1-amine

2,2-difluoro-1-(5-methylthiophen-3-yl)propan-1-amine (PubChem CID 130665450) has the molecular formula C8H11F2NS and a molecular weight of 191.25 g/mol. Its IUPAC name is 2,2-difluoro-1-(5-methylthiophen-3-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-1-(5-methylthiophen-3-yl)propan-1-amine
PubChem CID130665450
Molecular FormulaC8H11F2NS
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name2,2-difluoro-1-(5-methylthiophen-3-yl)propan-1-amine
SMILESCc1cc(C(N)C(C)(F)F)cs1
InChIInChI=1S/C8H11F2NS/c1-5-3-6(4-12-5)7(11)8(2,9)10/h3-4,7H,11H2,1-2H3
InChIKeyHKWYLOSJUKLNFG-UHFFFAOYSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2,2,2-trifluoro-1-(5-methylthiophen-3-yl)ethanamine
CID 55274092
2-methoxy-2-methyl-1-(5-methylthiophen-3-yl)propan-1-amine
CID 79198358
2-methyl-2-methylsulfonyl-1-(5-methylthiophen-3-yl)propan-1-amine
CID 104991379
2-methyl-1-(5-methylthiophen-3-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056215
2-ethoxy-2-ethyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 116759557
1-(5-methylthiophen-3-yl)ethane-1,2-diamine
CID 55294445
[3,3,3-trifluoro-1-(5-methylthiophen-3-yl)-2-(trifluoromethyl)propyl]hydrazine
CID 103312828
(5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65105009
2-methyl-1-(5-methylthiophen-3-yl)propane-1,2-diol
CID 103449100
(1S,2R)-1-amino-1-(5-methylthiophen-3-yl)propan-2-ol
CID 55293890
(1R)-1-(5-methylthiophen-3-yl)ethanol
CID 131209035
(4-bromothiophen-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 65105046

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(5-methylthiophen-3-yl)propan-1-amine?
The IUPAC name of 2,2-difluoro-1-(5-methylthiophen-3-yl)propan-1-amine (CID 130665450) is 2,2-difluoro-1-(5-methylthiophen-3-yl)propan-1-amine.
What is the SMILES notation for 2,2-difluoro-1-(5-methylthiophen-3-yl)propan-1-amine?
The canonical SMILES for 2,2-difluoro-1-(5-methylthiophen-3-yl)propan-1-amine is Cc1cc(C(N)C(C)(F)F)cs1.
What is the InChIKey of 2,2-difluoro-1-(5-methylthiophen-3-yl)propan-1-amine?
The InChIKey is HKWYLOSJUKLNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NS/c1-5-3-6(4-12-5)7(11)8(2,9)10/h3-4,7H,11H2,1-2H3.
What are the key properties of 2,2-difluoro-1-(5-methylthiophen-3-yl)propan-1-amine?
2,2-difluoro-1-(5-methylthiophen-3-yl)propan-1-amine has a molecular weight of 191.25 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(5-methylthiophen-3-yl)propan-1-amine is sourced from PubChem (CID 130665450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).