2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetic acid

C11H11F3N2O2 — CID 170886771

IUPAC2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetic acid
SMILESO=C(O)Cc1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)10-6-3-1-2-4-7(6)15-8(16-10)5-9(17)18/h1-5H2,(H,17,18)
InChIKeyFAWTWKKYMVZGJR-UHFFFAOYSA-N
MW260.21 g/mol
LogP2.00
Rot. Bonds2

About 2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetic acid

2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetic acid (PubChem CID 170886771) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetic acid
PubChem CID170886771
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetic acid
SMILESO=C(O)Cc1nc2c(c(C(F)(F)F)n1)CCCC2
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)10-6-3-1-2-4-7(6)15-8(16-10)5-9(17)18/h1-5H2,(H,17,18)
InChIKeyFAWTWKKYMVZGJR-UHFFFAOYSA-N
XLogP2.00
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetic acid?
The IUPAC name of 2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetic acid (CID 170886771) is 2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetic acid is O=C(O)Cc1nc2c(c(C(F)(F)F)n1)CCCC2.
What is the InChIKey of 2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetic acid?
The InChIKey is FAWTWKKYMVZGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)10-6-3-1-2-4-7(6)15-8(16-10)5-9(17)18/h1-5H2,(H,17,18).
What are the key properties of 2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetic acid?
2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetic acid has a molecular weight of 260.21 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]acetic acid is sourced from PubChem (CID 170886771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).