(1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine

C7H9F2NS — CID 130649294

IUPAC(1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1[C@@H](N)C(F)F
InChIInChI=1S/C7H9F2NS/c1-4-2-3-11-6(4)5(10)7(8)9/h2-3,5,7H,10H2,1H3/t5-/m1/s1
InChIKeyXBXZIBAXWBIWNK-RXMQYKEDSA-N
MW177.22 g/mol
LogP2.32
Rot. Bonds2

About (1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine

(1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 130649294) has the molecular formula C7H9F2NS and a molecular weight of 177.22 g/mol. Its IUPAC name is (1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID130649294
Molecular FormulaC7H9F2NS
Molecular Weight177.22 g/mol
Exact Mass177.04
IUPAC Name(1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1[C@@H](N)C(F)F
InChIInChI=1S/C7H9F2NS/c1-4-2-3-11-6(4)5(10)7(8)9/h2-3,5,7H,10H2,1H3/t5-/m1/s1
InChIKeyXBXZIBAXWBIWNK-RXMQYKEDSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-1-(3-methylthiophen-2-yl)butan-2-ol
CID 130144766
(1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 171313604
2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol
CID 116942474
(1S)-2-methyl-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171222735
(1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 103693064
(1R)-1-(3-methylthiophen-2-yl)prop-2-en-1-amine
CID 55274809
N'-methyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945946
ethyl 2-amino-2-(3-methylthiophen-2-yl)acetate
CID 4654193
(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171222723
(3S)-3-amino-2,2-difluoro-3-(3-methylthiophen-2-yl)propan-1-ol
CID 130722221
N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 116932549
(3-methylthiophen-2-yl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 43384383

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of (1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine (CID 130649294) is (1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for (1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for (1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine is Cc1ccsc1[C@@H](N)C(F)F.
What is the InChIKey of (1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is XBXZIBAXWBIWNK-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H9F2NS/c1-4-2-3-11-6(4)5(10)7(8)9/h2-3,5,7H,10H2,1H3/t5-/m1/s1.
What are the key properties of (1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine?
(1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 177.22 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 130649294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).