2-[(2R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid

C12H11F3O3 — CID 67934495

IUPAC2-[(2R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid
SMILESO=C(O)CC1C[C@H](C(F)(F)F)Oc2ccccc21
InChIInChI=1S/C12H11F3O3/c13-12(14,15)10-5-7(6-11(16)17)8-3-1-2-4-9(8)18-10/h1-4,7,10H,5-6H2,(H,16,17)/t7?,10-/m1/s1
InChIKeyWDACQPOFFPEERB-OMNKOJBGSA-N
MW260.21 g/mol
LogP2.96
Rot. Bonds2

About 2-[(2R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid

2-[(2R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid (PubChem CID 67934495) has the molecular formula C12H11F3O3 and a molecular weight of 260.21 g/mol. Its IUPAC name is 2-[(2R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid
PubChem CID67934495
Molecular FormulaC12H11F3O3
Molecular Weight260.21 g/mol
Exact Mass260.07
IUPAC Name2-[(2R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid
SMILESO=C(O)CC1C[C@H](C(F)(F)F)Oc2ccccc21
InChIInChI=1S/C12H11F3O3/c13-12(14,15)10-5-7(6-11(16)17)8-3-1-2-4-9(8)18-10/h1-4,7,10H,5-6H2,(H,16,17)/t7?,10-/m1/s1
InChIKeyWDACQPOFFPEERB-OMNKOJBGSA-N
XLogP2.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid?
The IUPAC name of 2-[(2R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid (CID 67934495) is 2-[(2R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid?
The canonical SMILES for 2-[(2R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid is O=C(O)CC1C[C@H](C(F)(F)F)Oc2ccccc21.
What is the InChIKey of 2-[(2R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid?
The InChIKey is WDACQPOFFPEERB-OMNKOJBGSA-N. The full InChI is InChI=1S/C12H11F3O3/c13-12(14,15)10-5-7(6-11(16)17)8-3-1-2-4-9(8)18-10/h1-4,7,10H,5-6H2,(H,16,17)/t7?,10-/m1/s1.
What are the key properties of 2-[(2R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid?
2-[(2R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid has a molecular weight of 260.21 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]acetic acid is sourced from PubChem (CID 67934495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).