(3S)-3-amino-2,2-difluoro-3-(3-methylthiophen-2-yl)propan-1-ol

C8H11F2NOS — CID 130722221

IUPAC(3S)-3-amino-2,2-difluoro-3-(3-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccsc1[C@@H](N)C(F)(F)CO
InChIInChI=1S/C8H11F2NOS/c1-5-2-3-13-6(5)7(11)8(9,10)4-12/h2-3,7,12H,4,11H2,1H3/t7-/m1/s1
InChIKeyIXPGUXLLRGJJRA-SSDOTTSWSA-N
MW207.24 g/mol
LogP1.68
Rot. Bonds3

About (3S)-3-amino-2,2-difluoro-3-(3-methylthiophen-2-yl)propan-1-ol

(3S)-3-amino-2,2-difluoro-3-(3-methylthiophen-2-yl)propan-1-ol (PubChem CID 130722221) has the molecular formula C8H11F2NOS and a molecular weight of 207.24 g/mol. Its IUPAC name is (3S)-3-amino-2,2-difluoro-3-(3-methylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-2,2-difluoro-3-(3-methylthiophen-2-yl)propan-1-ol
PubChem CID130722221
Molecular FormulaC8H11F2NOS
Molecular Weight207.24 g/mol
Exact Mass207.05
IUPAC Name(3S)-3-amino-2,2-difluoro-3-(3-methylthiophen-2-yl)propan-1-ol
SMILESCc1ccsc1[C@@H](N)C(F)(F)CO
InChIInChI=1S/C8H11F2NOS/c1-5-2-3-13-6(5)7(11)8(9,10)4-12/h2-3,7,12H,4,11H2,1H3/t7-/m1/s1
InChIKeyIXPGUXLLRGJJRA-SSDOTTSWSA-N
XLogP1.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 103693064
(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171222723
2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol
CID 116942474
2,2-difluoro-3-[1-(3-methylthiophen-2-yl)ethylamino]propan-1-ol
CID 104860527
(1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine
CID 130649294
(3R)-3-amino-3-(3,4-dimethylphenyl)-2,2-difluoropropan-1-ol
CID 131561206
1-(3-methylthiophen-2-yl)-2-phenylpropane-1,2-diamine
CID 57170440
2-amino-1-(3-methylthiophen-2-yl)butane-1,4-diol
CID 83929127
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
(3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride
CID 171250401
4,4,4-trifluoro-3-(3-methylthiophen-2-yl)butan-1-amine
CID 83917879

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2,2-difluoro-3-(3-methylthiophen-2-yl)propan-1-ol?
The IUPAC name of (3S)-3-amino-2,2-difluoro-3-(3-methylthiophen-2-yl)propan-1-ol (CID 130722221) is (3S)-3-amino-2,2-difluoro-3-(3-methylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for (3S)-3-amino-2,2-difluoro-3-(3-methylthiophen-2-yl)propan-1-ol?
The canonical SMILES for (3S)-3-amino-2,2-difluoro-3-(3-methylthiophen-2-yl)propan-1-ol is Cc1ccsc1[C@@H](N)C(F)(F)CO.
What is the InChIKey of (3S)-3-amino-2,2-difluoro-3-(3-methylthiophen-2-yl)propan-1-ol?
The InChIKey is IXPGUXLLRGJJRA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H11F2NOS/c1-5-2-3-13-6(5)7(11)8(9,10)4-12/h2-3,7,12H,4,11H2,1H3/t7-/m1/s1.
What are the key properties of (3S)-3-amino-2,2-difluoro-3-(3-methylthiophen-2-yl)propan-1-ol?
(3S)-3-amino-2,2-difluoro-3-(3-methylthiophen-2-yl)propan-1-ol has a molecular weight of 207.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2,2-difluoro-3-(3-methylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 130722221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).