hydroxy-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid

C10H10F3NO3 — CID 87543566

IUPAChydroxy-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid
SMILESCC(c1cccc(C(F)(F)F)c1)N(O)C(=O)O
InChIInChI=1S/C10H10F3NO3/c1-6(14(17)9(15)16)7-3-2-4-8(5-7)10(11,12)13/h2-6,17H,1H3,(H,15,16)
InChIKeyRCJFHYSHSXUTEK-UHFFFAOYSA-N
MW249.19 g/mol
LogP3.14
Rot. Bonds2

About hydroxy-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid

hydroxy-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid (PubChem CID 87543566) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is hydroxy-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid.

Molecular Properties

Compound Namehydroxy-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid
PubChem CID87543566
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Namehydroxy-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid
SMILESCC(c1cccc(C(F)(F)F)c1)N(O)C(=O)O
InChIInChI=1S/C10H10F3NO3/c1-6(14(17)9(15)16)7-3-2-4-8(5-7)10(11,12)13/h2-6,17H,1H3,(H,15,16)
InChIKeyRCJFHYSHSXUTEK-UHFFFAOYSA-N
XLogP3.14
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydroxy-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid?
The IUPAC name of hydroxy-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid (CID 87543566) is hydroxy-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid.
What is the SMILES notation for hydroxy-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid?
The canonical SMILES for hydroxy-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid is CC(c1cccc(C(F)(F)F)c1)N(O)C(=O)O.
What is the InChIKey of hydroxy-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid?
The InChIKey is RCJFHYSHSXUTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-6(14(17)9(15)16)7-3-2-4-8(5-7)10(11,12)13/h2-6,17H,1H3,(H,15,16).
What are the key properties of hydroxy-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid?
hydroxy-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid has a molecular weight of 249.19 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[1-[3-(trifluoromethyl)phenyl]ethyl]carbamic acid is sourced from PubChem (CID 87543566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).