(3R)-3-amino-3-(2,6-difluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride

C9H10ClF4NO — CID 171241028

IUPAC(3R)-3-amino-3-(2,6-difluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
SMILESCl.N[C@H](c1c(F)cccc1F)C(F)(F)CO
InChIInChI=1S/C9H9F4NO.ClH/c10-5-2-1-3-6(11)7(5)8(14)9(12,13)4-15;/h1-3,8,15H,4,14H2;1H/t8-;/m1./s1
InChIKeyGECDYQLIDBYDPU-DDWIOCJRSA-N
MW259.63 g/mol
LogP2.01
Rot. Bonds3

About (3R)-3-amino-3-(2,6-difluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride

(3R)-3-amino-3-(2,6-difluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride (PubChem CID 171241028) has the molecular formula C9H10ClF4NO and a molecular weight of 259.63 g/mol. Its IUPAC name is (3R)-3-amino-3-(2,6-difluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(2,6-difluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
PubChem CID171241028
Molecular FormulaC9H10ClF4NO
Molecular Weight259.63 g/mol
Exact Mass259.04
IUPAC Name(3R)-3-amino-3-(2,6-difluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
SMILESCl.N[C@H](c1c(F)cccc1F)C(F)(F)CO
InChIInChI=1S/C9H9F4NO.ClH/c10-5-2-1-3-6(11)7(5)8(14)9(12,13)4-15;/h1-3,8,15H,4,14H2;1H/t8-;/m1./s1
InChIKeyGECDYQLIDBYDPU-DDWIOCJRSA-N
XLogP2.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.63
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-(2-chloro-6-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171246333
(3R)-3-amino-3-(3-bromo-2,6-difluorophenyl)-2,2-difluoropropan-1-ol
CID 131392243
2-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-fluoro-3-(trifluoromethyl)phenol
CID 171259118
(3R)-3-amino-2,2-difluoro-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol
CID 171243144
(3S)-3-amino-3-(3,6-dichloro-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171251594
2-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3,5-difluorophenol;hydrochloride
CID 171256549
(3S)-3-amino-2,2-difluoro-3-(2,3,6-trichlorophenyl)propan-1-ol;hydrochloride
CID 171250631
(3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol
CID 130642630
(3S)-3-amino-3-(3-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171247629
(3S)-3-amino-2,2-difluoro-3-(3,4,5-trifluorophenyl)propan-1-ol;hydrochloride
CID 171248283
1-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]naphthalen-2-ol;hydrochloride
CID 171250513
1-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]naphthalen-2-ol;hydrochloride
CID 171243784

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2,6-difluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(2,6-difluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride (CID 171241028) is (3R)-3-amino-3-(2,6-difluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(2,6-difluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(2,6-difluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride is Cl.N[C@H](c1c(F)cccc1F)C(F)(F)CO.
What is the InChIKey of (3R)-3-amino-3-(2,6-difluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride?
The InChIKey is GECDYQLIDBYDPU-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H9F4NO.ClH/c10-5-2-1-3-6(11)7(5)8(14)9(12,13)4-15;/h1-3,8,15H,4,14H2;1H/t8-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(2,6-difluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride?
(3R)-3-amino-3-(2,6-difluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride has a molecular weight of 259.63 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2,6-difluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride is sourced from PubChem (CID 171241028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).