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

C8H11F2NS — CID 171313604

IUPAC(1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine
SMILESCc1ccsc1[C@H](N)CC(F)F
InChIInChI=1S/C8H11F2NS/c1-5-2-3-12-8(5)6(11)4-7(9)10/h2-3,6-7H,4,11H2,1H3/t6-/m1/s1
InChIKeyVABZPHNNVDOSFW-ZCFIWIBFSA-N
MW191.25 g/mol
LogP2.71
Rot. Bonds3

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

(1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine (PubChem CID 171313604) has the molecular formula C8H11F2NS and a molecular weight of 191.25 g/mol. Its IUPAC name is (1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine
PubChem CID171313604
Molecular FormulaC8H11F2NS
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name(1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine
SMILESCc1ccsc1[C@H](N)CC(F)F
InChIInChI=1S/C8H11F2NS/c1-5-2-3-12-8(5)6(11)4-7(9)10/h2-3,6-7H,4,11H2,1H3/t6-/m1/s1
InChIKeyVABZPHNNVDOSFW-ZCFIWIBFSA-N
XLogP2.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

(1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 103693064
(1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine
CID 130649294
2,4-diamino-4-(3-methylthiophen-2-yl)butanoic acid
CID 116942752
(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171222723
(3S)-3-amino-3-(3-methylthiophen-2-yl)propanenitrile;hydrochloride
CID 171259927
(1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride
CID 171222736
N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 116932549
(1R)-1-(3-methylthiophen-2-yl)pentan-1-amine
CID 55276293
(1S)-2-methylsulfonyl-1-(3-methylthiophen-2-yl)ethanamine
CID 130055070
3-amino-3-(3-methylthiophen-2-yl)propanamide
CID 43147956
1-(3-methylthiophen-2-yl)hexan-1-amine;hydrochloride
CID 86262849
(1R)-1-(3-methylthiophen-2-yl)but-3-en-1-amine;hydrochloride
CID 171203150

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine?
The IUPAC name of (1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine (CID 171313604) is (1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine.
What is the SMILES notation for (1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine?
The canonical SMILES for (1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine is Cc1ccsc1[C@H](N)CC(F)F.
What is the InChIKey of (1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine?
The InChIKey is VABZPHNNVDOSFW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11F2NS/c1-5-2-3-12-8(5)6(11)4-7(9)10/h2-3,6-7H,4,11H2,1H3/t6-/m1/s1.
What are the key properties of (1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine?
(1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine has a molecular weight of 191.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine is sourced from PubChem (CID 171313604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).