(1R,3R)-3-amino-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-ol

C10H10F5NO — CID 171237818

IUPAC(1R,3R)-3-amino-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-ol
SMILESN[C@H](C[C@@H](O)c1cccc(F)c1F)C(F)(F)F
InChIInChI=1S/C10H10F5NO/c11-6-3-1-2-5(9(6)12)7(17)4-8(16)10(13,14)15/h1-3,7-8,17H,4,16H2/t7-,8-/m1/s1
InChIKeyZSJCWAHZDJNGLQ-HTQZYQBOSA-N
MW255.19 g/mol
LogP2.28
Rot. Bonds3

About (1R,3R)-3-amino-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-ol

(1R,3R)-3-amino-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-ol (PubChem CID 171237818) has the molecular formula C10H10F5NO and a molecular weight of 255.19 g/mol. Its IUPAC name is (1R,3R)-3-amino-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name(1R,3R)-3-amino-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-ol
PubChem CID171237818
Molecular FormulaC10H10F5NO
Molecular Weight255.19 g/mol
Exact Mass255.07
IUPAC Name(1R,3R)-3-amino-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-ol
SMILESN[C@H](C[C@@H](O)c1cccc(F)c1F)C(F)(F)F
InChIInChI=1S/C10H10F5NO/c11-6-3-1-2-5(9(6)12)7(17)4-8(16)10(13,14)15/h1-3,7-8,17H,4,16H2/t7-,8-/m1/s1
InChIKeyZSJCWAHZDJNGLQ-HTQZYQBOSA-N
XLogP2.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3R)-3-amino-1-(2,3-difluorophenyl)-4,4-dimethylpentan-1-ol;hydrochloride
CID 171237359
(1S,3S)-3-amino-1-(2,6-difluorophenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171237213
(1S,3S)-3-amino-4,4,4-trifluoro-1-naphthalen-1-ylbutan-1-ol
CID 171237294
2-[(1S,3R)-3-amino-4,4,4-trifluoro-1-hydroxybutyl]phenol;hydrochloride
CID 171237589
(1S,3S)-3-amino-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171237305
(1R,3S)-3-amino-1-(2-chloro-6-fluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171236880
(2S,3S)-3-amino-3-(2,3-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171161694
(1S,3S)-3-amino-4,4,4-trifluoro-1-(2,4,5-trifluorophenyl)butan-1-ol
CID 171237196
(1R,3S)-3-amino-1-(2-chloro-6-fluorophenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171236881
1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 75480584
(1R,3S)-3-amino-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171236858
(1R,3R)-3-amino-4,4,4-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 171237792

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-3-amino-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of (1R,3R)-3-amino-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-ol (CID 171237818) is (1R,3R)-3-amino-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for (1R,3R)-3-amino-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for (1R,3R)-3-amino-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-ol is N[C@H](C[C@@H](O)c1cccc(F)c1F)C(F)(F)F.
What is the InChIKey of (1R,3R)-3-amino-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is ZSJCWAHZDJNGLQ-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H10F5NO/c11-6-3-1-2-5(9(6)12)7(17)4-8(16)10(13,14)15/h1-3,7-8,17H,4,16H2/t7-,8-/m1/s1.
What are the key properties of (1R,3R)-3-amino-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-ol?
(1R,3R)-3-amino-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 255.19 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-3-amino-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 171237818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).