2,2-difluoro-1-thiophen-2-ylpropan-1-amine

C7H9F2NS — CID 131209587

IUPAC2,2-difluoro-1-thiophen-2-ylpropan-1-amine
SMILESCC(F)(F)C(N)c1cccs1
InChIInChI=1S/C7H9F2NS/c1-7(8,9)6(10)5-3-2-4-11-5/h2-4,6H,10H2,1H3
InChIKeyFYIOPWOWOWHBBN-UHFFFAOYSA-N
MW177.22 g/mol
LogP2.40
Rot. Bonds2

About 2,2-difluoro-1-thiophen-2-ylpropan-1-amine

2,2-difluoro-1-thiophen-2-ylpropan-1-amine (PubChem CID 131209587) has the molecular formula C7H9F2NS and a molecular weight of 177.22 g/mol. Its IUPAC name is 2,2-difluoro-1-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-1-thiophen-2-ylpropan-1-amine
PubChem CID131209587
Molecular FormulaC7H9F2NS
Molecular Weight177.22 g/mol
Exact Mass177.04
IUPAC Name2,2-difluoro-1-thiophen-2-ylpropan-1-amine
SMILESCC(F)(F)C(N)c1cccs1
InChIInChI=1S/C7H9F2NS/c1-7(8,9)6(10)5-3-2-4-11-5/h2-4,6H,10H2,1H3
InChIKeyFYIOPWOWOWHBBN-UHFFFAOYSA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (3S)-3-amino-2,2-difluoro-3-thiophen-2-ylpropanoate
CID 171243650
(1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine
CID 156789144
dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
2-ethyl-2-phenyl-1-thiophen-2-ylbutan-1-amine
CID 63082381
2-propan-2-ylthiophene
CID 178128598
2,2,2-trifluoro-1-thiophen-2-ylethanol
CID 10954147
N',N'-dimethyl-1-thiophen-2-ylmethanediamine
CID 116909030
3-fluoro-3-methyl-4-thiophen-2-ylbutan-2-amine
CID 130574546
2,2-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 84661885
(R)-thiophen-2-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 171231154
N'-ethyl-1-thiophen-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115287788
3-amino-2,2-dimethyl-1-thiophen-2-ylpropan-1-ol
CID 79135544

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-thiophen-2-ylpropan-1-amine?
The IUPAC name of 2,2-difluoro-1-thiophen-2-ylpropan-1-amine (CID 131209587) is 2,2-difluoro-1-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 2,2-difluoro-1-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 2,2-difluoro-1-thiophen-2-ylpropan-1-amine is CC(F)(F)C(N)c1cccs1.
What is the InChIKey of 2,2-difluoro-1-thiophen-2-ylpropan-1-amine?
The InChIKey is FYIOPWOWOWHBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NS/c1-7(8,9)6(10)5-3-2-4-11-5/h2-4,6H,10H2,1H3.
What are the key properties of 2,2-difluoro-1-thiophen-2-ylpropan-1-amine?
2,2-difluoro-1-thiophen-2-ylpropan-1-amine has a molecular weight of 177.22 g/mol, XLogP of 2.40, 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-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 131209587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).