(3R)-3-amino-2,2-difluoro-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol

C13H18F2N2O — CID 171245296

IUPAC(3R)-3-amino-2,2-difluoro-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
SMILESN[C@H](c1ccc(N2CCCC2)cc1)C(F)(F)CO
InChIInChI=1S/C13H18F2N2O/c14-13(15,9-18)12(16)10-3-5-11(6-4-10)17-7-1-2-8-17/h3-6,12,18H,1-2,7-9,16H2/t12-/m1/s1
InChIKeyWVQJWPZTTJCHGT-GFCCVEGCSA-N
MW256.30 g/mol
LogP1.91
Rot. Bonds4

About (3R)-3-amino-2,2-difluoro-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol

(3R)-3-amino-2,2-difluoro-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol (PubChem CID 171245296) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is (3R)-3-amino-2,2-difluoro-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-2,2-difluoro-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
PubChem CID171245296
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(3R)-3-amino-2,2-difluoro-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
SMILESN[C@H](c1ccc(N2CCCC2)cc1)C(F)(F)CO
InChIInChI=1S/C13H18F2N2O/c14-13(15,9-18)12(16)10-3-5-11(6-4-10)17-7-1-2-8-17/h3-6,12,18H,1-2,7-9,16H2/t12-/m1/s1
InChIKeyWVQJWPZTTJCHGT-GFCCVEGCSA-N
XLogP1.91
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol;hydrochloride
CID 171252027
(2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
CID 171236557
3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 82616433
(3R)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171240277
3-amino-3-(4-pyrrolidin-1-ylphenyl)propanoic acid
CID 53417398
(S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171252024
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 171239899
methyl (3S)-3-amino-2,2-dimethyl-3-(4-pyrrolidin-1-ylphenyl)propanoate
CID 171252016
(3R)-3-amino-3-(4-piperidin-1-ylphenyl)propanoic acid;hydrochloride
CID 162344541
(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
(3R)-3-amino-3-(3,4-dimethylphenyl)-2,2-difluoropropan-1-ol
CID 131561206

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,2-difluoro-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-2,2-difluoro-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol (CID 171245296) is (3R)-3-amino-2,2-difluoro-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-2,2-difluoro-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-2,2-difluoro-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol is N[C@H](c1ccc(N2CCCC2)cc1)C(F)(F)CO.
What is the InChIKey of (3R)-3-amino-2,2-difluoro-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol?
The InChIKey is WVQJWPZTTJCHGT-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18F2N2O/c14-13(15,9-18)12(16)10-3-5-11(6-4-10)17-7-1-2-8-17/h3-6,12,18H,1-2,7-9,16H2/t12-/m1/s1.
What are the key properties of (3R)-3-amino-2,2-difluoro-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol?
(3R)-3-amino-2,2-difluoro-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol has a molecular weight of 256.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,2-difluoro-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol is sourced from PubChem (CID 171245296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).