1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate

C10H9F3O3 — CID 67316617

IUPAC1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate
SMILESCC(OC(=O)O)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H9F3O3/c1-6(16-9(14)15)7-4-2-3-5-8(7)10(11,12)13/h2-6H,1H3,(H,14,15)
InChIKeyUQXGQZLNKMPORB-UHFFFAOYSA-N
MW234.17 g/mol
LogP3.46
Rot. Bonds2

About 1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate

1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate (PubChem CID 67316617) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate
PubChem CID67316617
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate
SMILESCC(OC(=O)O)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H9F3O3/c1-6(16-9(14)15)7-4-2-3-5-8(7)10(11,12)13/h2-6H,1H3,(H,14,15)
InChIKeyUQXGQZLNKMPORB-UHFFFAOYSA-N
XLogP3.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-1-[2-(trifluoromethyl)phenyl]ethoxy]carbonylbenzoic acid
CID 68718515
1-[2-(trifluoromethyl)phenyl]ethyl trifluoromethanesulfonate
CID 102621523
[(2R,3R)-3-[2-(trifluoromethyl)phenyl]butan-2-yl] (2S)-2-aminopropanoate
CID 139473117
[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl] carbamate
CID 175527175
1-[2-(trifluoromethyl)phenyl]ethyl 4-(dimethylamino)-3-methylbenzoate
CID 130428029
(2R)-2-(methylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 93280066
2-[2-(trifluoromethyl)phenyl]butanoic acid
CID 62801818
2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 54908281
3-[2-(trifluoromethyl)phenyl]pentanedioic acid
CID 66618920
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338
2-[1-[2-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 16771420
2-methyl-3-[2-(trifluoromethoxy)phenyl]butanoic acid
CID 81008606

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate?
The IUPAC name of 1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate (CID 67316617) is 1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate.
What is the SMILES notation for 1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate?
The canonical SMILES for 1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate is CC(OC(=O)O)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate?
The InChIKey is UQXGQZLNKMPORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c1-6(16-9(14)15)7-4-2-3-5-8(7)10(11,12)13/h2-6H,1H3,(H,14,15).
What are the key properties of 1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate?
1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate has a molecular weight of 234.17 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate is sourced from PubChem (CID 67316617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).