(3R)-3-amino-3-(3,5-dichloro-4-pyridinyl)-2,2-difluoropropan-1-ol

C8H8Cl2F2N2O — CID 131518372

IUPAC(3R)-3-amino-3-(3,5-dichloro-4-pyridinyl)-2,2-difluoropropan-1-ol
SMILESN[C@H](c1c(Cl)cncc1Cl)C(F)(F)CO
InChIInChI=1S/C8H8Cl2F2N2O/c9-4-1-14-2-5(10)6(4)7(13)8(11,12)3-15/h1-2,7,15H,3,13H2/t7-/m1/s1
InChIKeyZTHACSLDDGVGSQ-SSDOTTSWSA-N
MW257.07 g/mol
LogP2.02
Rot. Bonds3

About (3R)-3-amino-3-(3,5-dichloro-4-pyridinyl)-2,2-difluoropropan-1-ol

(3R)-3-amino-3-(3,5-dichloro-4-pyridinyl)-2,2-difluoropropan-1-ol (PubChem CID 131518372) has the molecular formula C8H8Cl2F2N2O and a molecular weight of 257.07 g/mol. Its IUPAC name is (3R)-3-amino-3-(3,5-dichloro-4-pyridinyl)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(3,5-dichloro-4-pyridinyl)-2,2-difluoropropan-1-ol
PubChem CID131518372
Molecular FormulaC8H8Cl2F2N2O
Molecular Weight257.07 g/mol
Exact Mass256.00
IUPAC Name(3R)-3-amino-3-(3,5-dichloro-4-pyridinyl)-2,2-difluoropropan-1-ol
SMILESN[C@H](c1c(Cl)cncc1Cl)C(F)(F)CO
InChIInChI=1S/C8H8Cl2F2N2O/c9-4-1-14-2-5(10)6(4)7(13)8(11,12)3-15/h1-2,7,15H,3,13H2/t7-/m1/s1
InChIKeyZTHACSLDDGVGSQ-SSDOTTSWSA-N
XLogP2.02
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.07
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-3-(3,6-dichloro-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171251594
(3S)-3-amino-2,2-difluoro-3-(2,3,6-trichlorophenyl)propan-1-ol
CID 131257946
(3S)-3-amino-2,2-difluoro-3-(2,3,6-trichlorophenyl)propan-1-ol;hydrochloride
CID 171250631
(3S)-3-amino-3-(2-chloro-6-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171246333
2-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-bromo-6-chlorophenol
CID 131491160
(3R)-3-amino-2,2-difluoro-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol
CID 171243144
(1S)-1-(3,5-dichloro-4-pyridinyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171224240
(3S)-3-amino-3-(3,5-dichloro-4-pyridinyl)propan-1-ol;hydrochloride
CID 171224260
(3R)-3-amino-3-(2,6-difluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171241028
(3S)-3-amino-3-(2-chloro-4-fluorophenyl)-2,2-difluoropropan-1-ol
CID 131260028
(3R)-3-amino-3-[3-chloro-4-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol
CID 171244725
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-chlorophenol;hydrochloride
CID 171241275

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3,5-dichloro-4-pyridinyl)-2,2-difluoropropan-1-ol?
The IUPAC name of (3R)-3-amino-3-(3,5-dichloro-4-pyridinyl)-2,2-difluoropropan-1-ol (CID 131518372) is (3R)-3-amino-3-(3,5-dichloro-4-pyridinyl)-2,2-difluoropropan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(3,5-dichloro-4-pyridinyl)-2,2-difluoropropan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(3,5-dichloro-4-pyridinyl)-2,2-difluoropropan-1-ol is N[C@H](c1c(Cl)cncc1Cl)C(F)(F)CO.
What is the InChIKey of (3R)-3-amino-3-(3,5-dichloro-4-pyridinyl)-2,2-difluoropropan-1-ol?
The InChIKey is ZTHACSLDDGVGSQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8Cl2F2N2O/c9-4-1-14-2-5(10)6(4)7(13)8(11,12)3-15/h1-2,7,15H,3,13H2/t7-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3,5-dichloro-4-pyridinyl)-2,2-difluoropropan-1-ol?
(3R)-3-amino-3-(3,5-dichloro-4-pyridinyl)-2,2-difluoropropan-1-ol has a molecular weight of 257.07 g/mol, XLogP of 2.02, 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-(3,5-dichloro-4-pyridinyl)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 131518372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).