(1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine

C8H10BrF2NS — CID 171313610

IUPAC(1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine
SMILESCc1cc([C@H](N)CC(F)F)sc1Br
InChIInChI=1S/C8H10BrF2NS/c1-4-2-6(13-8(4)9)5(12)3-7(10)11/h2,5,7H,3,12H2,1H3/t5-/m1/s1
InChIKeyPYXVPHUSQCIYRR-RXMQYKEDSA-N
MW270.14 g/mol
LogP3.47
Rot. Bonds3

About (1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine

(1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine (PubChem CID 171313610) has the molecular formula C8H10BrF2NS and a molecular weight of 270.14 g/mol. Its IUPAC name is (1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine
PubChem CID171313610
Molecular FormulaC8H10BrF2NS
Molecular Weight270.14 g/mol
Exact Mass268.97
IUPAC Name(1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine
SMILESCc1cc([C@H](N)CC(F)F)sc1Br
InChIInChI=1S/C8H10BrF2NS/c1-4-2-6(13-8(4)9)5(12)3-7(10)11/h2,5,7H,3,12H2,1H3/t5-/m1/s1
InChIKeyPYXVPHUSQCIYRR-RXMQYKEDSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-3,3,3-trifluoropropan-1-amine
CID 79990885
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine
CID 130055202
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2-cyclopropylethanamine;hydrochloride
CID 171203275
1-(5-bromo-4-methylthiophen-2-yl)-2-propan-2-yloxyethanamine
CID 105013420
(4S)-4-amino-4-(5-bromo-4-methylthiophen-2-yl)butan-1-ol;hydrochloride
CID 171222868
1-(5-bromo-4-methylthiophen-2-yl)-4-methoxybutan-1-amine
CID 105055102
1-(5-bromo-4-methylthiophen-2-yl)-3-cyclopentylpropan-1-amine
CID 79992064
1-(5-bromo-4-methylthiophen-2-yl)-2-methylpentan-1-amine
CID 79992174
2-bromo-5-(1-chloro-2,2-difluoroethyl)-3-methylthiophene
CID 103514612
4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanamide
CID 79991570
(1S)-1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-amine
CID 131039487
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171247467

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine?
The IUPAC name of (1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine (CID 171313610) is (1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine.
What is the SMILES notation for (1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine?
The canonical SMILES for (1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine is Cc1cc([C@H](N)CC(F)F)sc1Br.
What is the InChIKey of (1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine?
The InChIKey is PYXVPHUSQCIYRR-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10BrF2NS/c1-4-2-6(13-8(4)9)5(12)3-7(10)11/h2,5,7H,3,12H2,1H3/t5-/m1/s1.
What are the key properties of (1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine?
(1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine has a molecular weight of 270.14 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-4-methylthiophen-2-yl)-3,3-difluoropropan-1-amine is sourced from PubChem (CID 171313610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).