(3R)-3-(2-bromo-6-fluorophenyl)-3-hydroxypropanenitrile

C9H7BrFNO — CID 131172063

IUPAC(3R)-3-(2-bromo-6-fluorophenyl)-3-hydroxypropanenitrile
SMILESN#CC[C@@H](O)c1c(F)cccc1Br
InChIInChI=1S/C9H7BrFNO/c10-6-2-1-3-7(11)9(6)8(13)4-5-12/h1-3,8,13H,4H2/t8-/m1/s1
InChIKeyCODLMDRWFKGOCK-MRVPVSSYSA-N
MW244.06 g/mol
LogP2.54
Rot. Bonds2

About (3R)-3-(2-bromo-6-fluorophenyl)-3-hydroxypropanenitrile

(3R)-3-(2-bromo-6-fluorophenyl)-3-hydroxypropanenitrile (PubChem CID 131172063) has the molecular formula C9H7BrFNO and a molecular weight of 244.06 g/mol. Its IUPAC name is (3R)-3-(2-bromo-6-fluorophenyl)-3-hydroxypropanenitrile.

Molecular Properties

Compound Name(3R)-3-(2-bromo-6-fluorophenyl)-3-hydroxypropanenitrile
PubChem CID131172063
Molecular FormulaC9H7BrFNO
Molecular Weight244.06 g/mol
Exact Mass242.97
IUPAC Name(3R)-3-(2-bromo-6-fluorophenyl)-3-hydroxypropanenitrile
SMILESN#CC[C@@H](O)c1c(F)cccc1Br
InChIInChI=1S/C9H7BrFNO/c10-6-2-1-3-7(11)9(6)8(13)4-5-12/h1-3,8,13H,4H2/t8-/m1/s1
InChIKeyCODLMDRWFKGOCK-MRVPVSSYSA-N
XLogP2.54
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.06
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-difluorophenyl)-3-hydroxypropanenitrile
CID 79118056
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanol
CID 114885692
1-(2-bromo-6-fluorophenyl)-2-propan-2-yloxyethanol
CID 114885627
1-(2-bromo-6-fluorophenyl)-4,4-dimethylpentan-1-ol
CID 114885662
1-(2-bromo-6-fluorophenyl)-2-ethoxyethanol
CID 114885640
1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol
CID 114885678
3-(4-bromo-3-fluorophenyl)-3-hydroxypropanenitrile
CID 81441405
3-(3-bromo-4-fluorophenyl)-3-hydroxypropanenitrile
CID 66629194
1-(2-bromo-6-fluorophenyl)-3-methylidenepentan-1-ol
CID 114885556
1-(2-bromo-6-fluorophenyl)-2,2-difluoroethanol
CID 130062648
1-(2-bromo-6-fluorophenyl)ethanol;ethane
CID 166081961

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-bromo-6-fluorophenyl)-3-hydroxypropanenitrile?
The IUPAC name of (3R)-3-(2-bromo-6-fluorophenyl)-3-hydroxypropanenitrile (CID 131172063) is (3R)-3-(2-bromo-6-fluorophenyl)-3-hydroxypropanenitrile.
What is the SMILES notation for (3R)-3-(2-bromo-6-fluorophenyl)-3-hydroxypropanenitrile?
The canonical SMILES for (3R)-3-(2-bromo-6-fluorophenyl)-3-hydroxypropanenitrile is N#CC[C@@H](O)c1c(F)cccc1Br.
What is the InChIKey of (3R)-3-(2-bromo-6-fluorophenyl)-3-hydroxypropanenitrile?
The InChIKey is CODLMDRWFKGOCK-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H7BrFNO/c10-6-2-1-3-7(11)9(6)8(13)4-5-12/h1-3,8,13H,4H2/t8-/m1/s1.
What are the key properties of (3R)-3-(2-bromo-6-fluorophenyl)-3-hydroxypropanenitrile?
(3R)-3-(2-bromo-6-fluorophenyl)-3-hydroxypropanenitrile has a molecular weight of 244.06 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-bromo-6-fluorophenyl)-3-hydroxypropanenitrile is sourced from PubChem (CID 131172063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).