(3R)-3-amino-3-(1-benzothiophen-3-yl)-2,2-difluoropropan-1-ol;hydrochloride

C11H12ClF2NOS — CID 171241342

IUPAC(3R)-3-amino-3-(1-benzothiophen-3-yl)-2,2-difluoropropan-1-ol;hydrochloride
SMILESCl.N[C@H](c1csc2ccccc12)C(F)(F)CO
InChIInChI=1S/C11H11F2NOS.ClH/c12-11(13,6-15)10(14)8-5-16-9-4-2-1-3-7(8)9;/h1-5,10,15H,6,14H2;1H/t10-;/m1./s1
InChIKeyOLCSMRWOAXUCCF-HNCPQSOCSA-N
MW279.74 g/mol
LogP2.95
Rot. Bonds3

About (3R)-3-amino-3-(1-benzothiophen-3-yl)-2,2-difluoropropan-1-ol;hydrochloride

(3R)-3-amino-3-(1-benzothiophen-3-yl)-2,2-difluoropropan-1-ol;hydrochloride (PubChem CID 171241342) has the molecular formula C11H12ClF2NOS and a molecular weight of 279.74 g/mol. Its IUPAC name is (3R)-3-amino-3-(1-benzothiophen-3-yl)-2,2-difluoropropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(1-benzothiophen-3-yl)-2,2-difluoropropan-1-ol;hydrochloride
PubChem CID171241342
Molecular FormulaC11H12ClF2NOS
Molecular Weight279.74 g/mol
Exact Mass279.03
IUPAC Name(3R)-3-amino-3-(1-benzothiophen-3-yl)-2,2-difluoropropan-1-ol;hydrochloride
SMILESCl.N[C@H](c1csc2ccccc12)C(F)(F)CO
InChIInChI=1S/C11H11F2NOS.ClH/c12-11(13,6-15)10(14)8-5-16-9-4-2-1-3-7(8)9;/h1-5,10,15H,6,14H2;1H/t10-;/m1./s1
InChIKeyOLCSMRWOAXUCCF-HNCPQSOCSA-N
XLogP2.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(1-benzothiophen-3-yl)ethanol
CID 94550401
(1S)-1-(1-benzothiophen-3-yl)-4,4,4-trifluorobutan-1-amine
CID 171224591
(1R)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol
CID 71757522
(1S)-2-amino-1-(1-benzothiophen-3-yl)ethanol
CID 94550197
(3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propan-1-ol;hydrochloride
CID 171245512
methyl 2-amino-2-(1-benzothiophen-3-yl)acetate;hydrochloride
CID 68972931
1-benzothiophen-3-yl(chloro)methanamine
CID 116947843
2-(1-benzothiophen-3-yl)-2,2-difluoroethanol
CID 67815156
ethyl (3S)-3-amino-3-(1-benzothiophen-3-yl)-2-fluoropropanoate;hydrochloride
CID 171248065
(3S)-3-amino-2,2-difluoro-3-(1-methylindol-3-yl)propan-1-ol
CID 171248671
1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 43150849
(1R)-1-(1-benzothiophen-3-yl)but-3-en-1-amine;hydrochloride
CID 171205013

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(1-benzothiophen-3-yl)-2,2-difluoropropan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(1-benzothiophen-3-yl)-2,2-difluoropropan-1-ol;hydrochloride (CID 171241342) is (3R)-3-amino-3-(1-benzothiophen-3-yl)-2,2-difluoropropan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(1-benzothiophen-3-yl)-2,2-difluoropropan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(1-benzothiophen-3-yl)-2,2-difluoropropan-1-ol;hydrochloride is Cl.N[C@H](c1csc2ccccc12)C(F)(F)CO.
What is the InChIKey of (3R)-3-amino-3-(1-benzothiophen-3-yl)-2,2-difluoropropan-1-ol;hydrochloride?
The InChIKey is OLCSMRWOAXUCCF-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H11F2NOS.ClH/c12-11(13,6-15)10(14)8-5-16-9-4-2-1-3-7(8)9;/h1-5,10,15H,6,14H2;1H/t10-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(1-benzothiophen-3-yl)-2,2-difluoropropan-1-ol;hydrochloride?
(3R)-3-amino-3-(1-benzothiophen-3-yl)-2,2-difluoropropan-1-ol;hydrochloride has a molecular weight of 279.74 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(1-benzothiophen-3-yl)-2,2-difluoropropan-1-ol;hydrochloride is sourced from PubChem (CID 171241342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).