(1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine

C9H13F2NS — CID 171313876

IUPAC(1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine
SMILESCCc1ccc([C@H](N)CC(F)F)s1
InChIInChI=1S/C9H13F2NS/c1-2-6-3-4-8(13-6)7(12)5-9(10)11/h3-4,7,9H,2,5,12H2,1H3/t7-/m1/s1
InChIKeyLTKYGONOTIKJNB-SSDOTTSWSA-N
MW205.27 g/mol
LogP2.97
Rot. Bonds4

About (1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine

(1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine (PubChem CID 171313876) has the molecular formula C9H13F2NS and a molecular weight of 205.27 g/mol. Its IUPAC name is (1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine
PubChem CID171313876
Molecular FormulaC9H13F2NS
Molecular Weight205.27 g/mol
Exact Mass205.07
IUPAC Name(1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine
SMILESCCc1ccc([C@H](N)CC(F)F)s1
InChIInChI=1S/C9H13F2NS/c1-2-6-3-4-8(13-6)7(12)5-9(10)11/h3-4,7,9H,2,5,12H2,1H3/t7-/m1/s1
InChIKeyLTKYGONOTIKJNB-SSDOTTSWSA-N
XLogP2.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942
(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171211735
(3S)-3-amino-3-(5-ethylthiophen-2-yl)propanenitrile
CID 131198390
(3R)-3-amino-3-(5-ethylthiophen-2-yl)propanenitrile
CID 55277378
(1S)-1-(5-ethylthiophen-2-yl)but-3-en-1-amine
CID 171231341
(1R)-1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine
CID 171211755
1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine
CID 105004261
2-cycloheptyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 114457478
2-cyclohexyl-1-(5-ethylthiophen-2-yl)ethanamine
CID 43103045
1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039697
(1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride
CID 171211731
methyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate
CID 60860643

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine?
The IUPAC name of (1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine (CID 171313876) is (1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine.
What is the SMILES notation for (1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine?
The canonical SMILES for (1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine is CCc1ccc([C@H](N)CC(F)F)s1.
What is the InChIKey of (1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine?
The InChIKey is LTKYGONOTIKJNB-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13F2NS/c1-2-6-3-4-8(13-6)7(12)5-9(10)11/h3-4,7,9H,2,5,12H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine?
(1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine has a molecular weight of 205.27 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-ethylthiophen-2-yl)-3,3-difluoropropan-1-amine is sourced from PubChem (CID 171313876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).