(2R)-2-bromo-1-ethoxy-1,1,2-trifluoroethane

C4H6BrF3O — CID 7191855

IUPAC(2R)-2-bromo-1-ethoxy-1,1,2-trifluoroethane
SMILESCCOC(F)(F)[C@H](F)Br
InChIInChI=1S/C4H6BrF3O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3/t3-/m0/s1
InChIKeyJHNFRVXKGJVWFU-VKHMYHEASA-N
MW206.99 g/mol
LogP2.31
Rot. Bonds3

About (2R)-2-bromo-1-ethoxy-1,1,2-trifluoroethane

(2R)-2-bromo-1-ethoxy-1,1,2-trifluoroethane (PubChem CID 7191855) has the molecular formula C4H6BrF3O and a molecular weight of 206.99 g/mol. Its IUPAC name is (2R)-2-bromo-1-ethoxy-1,1,2-trifluoroethane.

Molecular Properties

Compound Name(2R)-2-bromo-1-ethoxy-1,1,2-trifluoroethane
PubChem CID7191855
Molecular FormulaC4H6BrF3O
Molecular Weight206.99 g/mol
Exact Mass205.96
IUPAC Name(2R)-2-bromo-1-ethoxy-1,1,2-trifluoroethane
SMILESCCOC(F)(F)[C@H](F)Br
InChIInChI=1S/C4H6BrF3O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3/t3-/m0/s1
InChIKeyJHNFRVXKGJVWFU-VKHMYHEASA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.99
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane
CID 86205974
2-bromo-1,1,1-triethoxypropane
CID 2779285
(2S)-2-bromo-1,1,1-triethoxypropane
CID 6932530
2-ethoxy-1,1,1,2,3,5,5,5-octafluoropentane
CID 58114509
2-ethoxy-2-fluorobutane
CID 89114459
1-(2-ethoxy-1,2,2-trifluoroethoxy)-1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,2,2-trifluoroethenoxy)pentane
CID 175997126
2,2-diethoxy-2-fluoroethanol
CID 174439051
1-ethoxy-1,1-difluoro-2-iodoethane
CID 119095748
2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine
CID 165349343
1,2-dichloro-1-ethoxy-1,2,2-trifluoroethane
CID 23235124
2,2,3-tribromo-3-ethoxy-1,1,1-trifluoropropane
CID 10595847
3-(1,1,2,2-tetrafluoroethoxymethyl)pentane
CID 139669688

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-1-ethoxy-1,1,2-trifluoroethane?
The IUPAC name of (2R)-2-bromo-1-ethoxy-1,1,2-trifluoroethane (CID 7191855) is (2R)-2-bromo-1-ethoxy-1,1,2-trifluoroethane.
What is the SMILES notation for (2R)-2-bromo-1-ethoxy-1,1,2-trifluoroethane?
The canonical SMILES for (2R)-2-bromo-1-ethoxy-1,1,2-trifluoroethane is CCOC(F)(F)[C@H](F)Br.
What is the InChIKey of (2R)-2-bromo-1-ethoxy-1,1,2-trifluoroethane?
The InChIKey is JHNFRVXKGJVWFU-VKHMYHEASA-N. The full InChI is InChI=1S/C4H6BrF3O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3/t3-/m0/s1.
What are the key properties of (2R)-2-bromo-1-ethoxy-1,1,2-trifluoroethane?
(2R)-2-bromo-1-ethoxy-1,1,2-trifluoroethane has a molecular weight of 206.99 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-1-ethoxy-1,1,2-trifluoroethane is sourced from PubChem (CID 7191855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).