(3R)-3-amino-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol

C9H8F5NO — CID 131334834

IUPAC(3R)-3-amino-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol
SMILESN[C@H](CCO)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H8F5NO/c10-5-4(3(15)1-2-16)6(11)8(13)9(14)7(5)12/h3,16H,1-2,15H2/t3-/m1/s1
InChIKeyREAZFWHHJFCWCA-GSVOUGTGSA-N
MW241.16 g/mol
LogP1.76
Rot. Bonds3

About (3R)-3-amino-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol

(3R)-3-amino-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol (PubChem CID 131334834) has the molecular formula C9H8F5NO and a molecular weight of 241.16 g/mol. Its IUPAC name is (3R)-3-amino-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol
PubChem CID131334834
Molecular FormulaC9H8F5NO
Molecular Weight241.16 g/mol
Exact Mass241.05
IUPAC Name(3R)-3-amino-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol
SMILESN[C@H](CCO)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H8F5NO/c10-5-4(3(15)1-2-16)6(11)8(13)9(14)7(5)12/h3,16H,1-2,15H2/t3-/m1/s1
InChIKeyREAZFWHHJFCWCA-GSVOUGTGSA-N
XLogP1.76
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-(2,3,4,5,6-pentafluorophenyl)ethanol;hydrochloride
CID 171210325
(1S)-3-fluoro-1-(2,3,4,5,6-pentafluorophenyl)propan-1-amine
CID 131454154
(3R)-3-amino-3-(3,6-dibromo-2-fluorophenyl)propan-1-ol
CID 130804227
3-amino-3-(3,5-difluoro-4-pyridinyl)propan-1-ol
CID 55272447
(3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol
CID 131090979
2-(1-amino-3-hydroxypropyl)-3,6-difluorophenol
CID 131010821
(1S)-1-(2,3,4,5,6-pentafluorophenyl)pent-4-en-1-amine
CID 171229918
(2S)-2-amino-2-(3-bromo-2,4,5,6-tetrafluorophenyl)ethanol
CID 66515715
1-(2,3,4,5,6-pentafluorophenyl)heptan-1-amine
CID 115833229
(3R)-3-amino-3-(2-fluoro-6-iodophenyl)propan-1-ol
CID 130706379
(3R)-3-amino-3-(2,4-dibromo-6-fluorophenyl)propan-1-ol
CID 130774352
2-[(1R)-1-amino-3-hydroxypropyl]-3,5-difluorophenol;hydrochloride
CID 171256534

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol (CID 131334834) is (3R)-3-amino-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol is N[C@H](CCO)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (3R)-3-amino-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol?
The InChIKey is REAZFWHHJFCWCA-GSVOUGTGSA-N. The full InChI is InChI=1S/C9H8F5NO/c10-5-4(3(15)1-2-16)6(11)8(13)9(14)7(5)12/h3,16H,1-2,15H2/t3-/m1/s1.
What are the key properties of (3R)-3-amino-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol?
(3R)-3-amino-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol has a molecular weight of 241.16 g/mol, XLogP of 1.76, 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-(2,3,4,5,6-pentafluorophenyl)propan-1-ol is sourced from PubChem (CID 131334834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).