2-fluoro-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)benzene

C11H12F4O — CID 174349481

IUPAC2-fluoro-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)benzene
SMILESCC(C)c1cccc(OCC(F)(F)F)c1F
InChIInChI=1S/C11H12F4O/c1-7(2)8-4-3-5-9(10(8)12)16-6-11(13,14)15/h3-5,7H,6H2,1-2H3
InChIKeyISQZXEQRNSLJJU-UHFFFAOYSA-N
MW236.21 g/mol
LogP3.89
Rot. Bonds3

About 2-fluoro-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)benzene

2-fluoro-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)benzene (PubChem CID 174349481) has the molecular formula C11H12F4O and a molecular weight of 236.21 g/mol. Its IUPAC name is 2-fluoro-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name2-fluoro-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)benzene
PubChem CID174349481
Molecular FormulaC11H12F4O
Molecular Weight236.21 g/mol
Exact Mass236.08
IUPAC Name2-fluoro-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)benzene
SMILESCC(C)c1cccc(OCC(F)(F)F)c1F
InChIInChI=1S/C11H12F4O/c1-7(2)8-4-3-5-9(10(8)12)16-6-11(13,14)15/h3-5,7H,6H2,1-2H3
InChIKeyISQZXEQRNSLJJU-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene
CID 158664029
1-(cyclopropylmethoxy)-2-fluoro-3-propan-2-ylbenzene
CID 139460540
1-(1-methylsulfanylethyl)-2-(2,2,2-trifluoroethoxy)benzene
CID 147194689
4-chloro-2-propan-2-yl-1-(2,2,2-trifluoroethoxy)benzene
CID 18741298
1-fluoro-2-(2-methylbutyl)-3-(2,2,2-trifluoroethoxy)benzene
CID 166931497
2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)aniline
CID 113393427
(1R)-1-[2-(2,2,2-trifluoroethoxy)phenyl]propan-1-ol
CID 63365266
1-methyl-4-propan-2-yl-2-(2,2,2-trifluoroethoxy)benzene
CID 81005193
1-(2-fluoro-3-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148107
methyl 2-propan-2-yloxy-6-(2,2,2-trifluoroethoxy)benzoate
CID 54424942
2-(2,2,2-trifluoroethoxy)aniline;hydrochloride
CID 21272058
1-[[2,3-bis(2,2,2-trifluoroethoxy)phenyl]disulfanyl]-2,3-bis(2,2,2-trifluoroethoxy)benzene
CID 87534092

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 2-fluoro-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)benzene (CID 174349481) is 2-fluoro-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 2-fluoro-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 2-fluoro-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)benzene is CC(C)c1cccc(OCC(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is ISQZXEQRNSLJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O/c1-7(2)8-4-3-5-9(10(8)12)16-6-11(13,14)15/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-fluoro-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)benzene?
2-fluoro-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 236.21 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 174349481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).