1-[2-(trifluoromethyl)phenyl]ethylcarbamic acid

C10H10F3NO2 — CID 66611903

IUPAC1-[2-(trifluoromethyl)phenyl]ethylcarbamic acid
SMILESCC(NC(=O)O)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-6(14-9(15)16)7-4-2-3-5-8(7)10(11,12)13/h2-6,14H,1H3,(H,15,16)
InChIKeyXYTGPSZJZCMHQA-UHFFFAOYSA-N
MW233.19 g/mol
LogP3.03
Rot. Bonds2

About 1-[2-(trifluoromethyl)phenyl]ethylcarbamic acid

1-[2-(trifluoromethyl)phenyl]ethylcarbamic acid (PubChem CID 66611903) has the molecular formula C10H10F3NO2 and a molecular weight of 233.19 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)phenyl]ethylcarbamic acid.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)phenyl]ethylcarbamic acid
PubChem CID66611903
Molecular FormulaC10H10F3NO2
Molecular Weight233.19 g/mol
Exact Mass233.07
IUPAC Name1-[2-(trifluoromethyl)phenyl]ethylcarbamic acid
SMILESCC(NC(=O)O)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-6(14-9(15)16)7-4-2-3-5-8(7)10(11,12)13/h2-6,14H,1H3,(H,15,16)
InChIKeyXYTGPSZJZCMHQA-UHFFFAOYSA-N
XLogP3.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)phenyl]ethylcarbamic acid?
The IUPAC name of 1-[2-(trifluoromethyl)phenyl]ethylcarbamic acid (CID 66611903) is 1-[2-(trifluoromethyl)phenyl]ethylcarbamic acid.
What is the SMILES notation for 1-[2-(trifluoromethyl)phenyl]ethylcarbamic acid?
The canonical SMILES for 1-[2-(trifluoromethyl)phenyl]ethylcarbamic acid is CC(NC(=O)O)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethyl)phenyl]ethylcarbamic acid?
The InChIKey is XYTGPSZJZCMHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-6(14-9(15)16)7-4-2-3-5-8(7)10(11,12)13/h2-6,14H,1H3,(H,15,16).
What are the key properties of 1-[2-(trifluoromethyl)phenyl]ethylcarbamic acid?
1-[2-(trifluoromethyl)phenyl]ethylcarbamic acid has a molecular weight of 233.19 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)phenyl]ethylcarbamic acid is sourced from PubChem (CID 66611903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).