(3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propan-1-ol;hydrochloride

C11H13ClF2N2O — CID 171245512

IUPAC(3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propan-1-ol;hydrochloride
SMILESCl.N[C@@H](c1c[nH]c2ccccc12)C(F)(F)CO
InChIInChI=1S/C11H12F2N2O.ClH/c12-11(13,6-16)10(14)8-5-15-9-4-2-1-3-7(8)9;/h1-5,10,15-16H,6,14H2;1H/t10-;/m0./s1
InChIKeyZKLWFAVYJOSGIJ-PPHPATTJSA-N
MW262.69 g/mol
LogP2.22
Rot. Bonds3

About (3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propan-1-ol;hydrochloride

(3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propan-1-ol;hydrochloride (PubChem CID 171245512) has the molecular formula C11H13ClF2N2O and a molecular weight of 262.69 g/mol. Its IUPAC name is (3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propan-1-ol;hydrochloride
PubChem CID171245512
Molecular FormulaC11H13ClF2N2O
Molecular Weight262.69 g/mol
Exact Mass262.07
IUPAC Name(3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propan-1-ol;hydrochloride
SMILESCl.N[C@@H](c1c[nH]c2ccccc12)C(F)(F)CO
InChIInChI=1S/C11H12F2N2O.ClH/c12-11(13,6-16)10(14)8-5-15-9-4-2-1-3-7(8)9;/h1-5,10,15-16H,6,14H2;1H/t10-;/m0./s1
InChIKeyZKLWFAVYJOSGIJ-PPHPATTJSA-N
XLogP2.22
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.69
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine
CID 42553559
(1R)-1-(1H-indol-3-yl)-2,2-dimethylpropan-1-amine
CID 131535143
ethyl (3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propanoate
CID 171245503
2,2-difluoro-2-(1H-indol-3-yl)ethanol
CID 116841147
(3S)-3-amino-2,2-difluoro-3-(1-methylindol-3-yl)propan-1-ol
CID 171248671
(1R)-1-(1H-indol-3-yl)prop-2-en-1-amine;hydrochloride
CID 171197962
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
ethyl 3,3,3-trifluoro-2-(1H-indol-3-yl)propanoate
CID 4527747
(2S)-3,3,3-trifluoro-2-(1H-indol-3-yl)propanoic acid
CID 2324682
3-amino-1-(1H-indol-3-yl)propan-1-ol
CID 82281300
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
2-amino-2-(1H-indol-3-yl)acetyl chloride
CID 88673710

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propan-1-ol;hydrochloride (CID 171245512) is (3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propan-1-ol;hydrochloride is Cl.N[C@@H](c1c[nH]c2ccccc12)C(F)(F)CO.
What is the InChIKey of (3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propan-1-ol;hydrochloride?
The InChIKey is ZKLWFAVYJOSGIJ-PPHPATTJSA-N. The full InChI is InChI=1S/C11H12F2N2O.ClH/c12-11(13,6-16)10(14)8-5-15-9-4-2-1-3-7(8)9;/h1-5,10,15-16H,6,14H2;1H/t10-;/m0./s1.
What are the key properties of (3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propan-1-ol;hydrochloride?
(3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propan-1-ol;hydrochloride has a molecular weight of 262.69 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2,2-difluoro-3-(1H-indol-3-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171245512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).