(2,4,5-trifluorophenyl)carbamic acid

C7H4F3NO2 — CID 89413895

IUPAC(2,4,5-trifluorophenyl)carbamic acid
SMILESO=C(O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C7H4F3NO2/c8-3-1-5(10)6(2-4(3)9)11-7(12)13/h1-2,11H,(H,12,13)
InChIKeyXAWXCRLXEKOUSO-UHFFFAOYSA-N
MW191.11 g/mol
LogP2.19
Rot. Bonds1

About (2,4,5-trifluorophenyl)carbamic acid

(2,4,5-trifluorophenyl)carbamic acid (PubChem CID 89413895) has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is (2,4,5-trifluorophenyl)carbamic acid.

Molecular Properties

Compound Name(2,4,5-trifluorophenyl)carbamic acid
PubChem CID89413895
Molecular FormulaC7H4F3NO2
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name(2,4,5-trifluorophenyl)carbamic acid
SMILESO=C(O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C7H4F3NO2/c8-3-1-5(10)6(2-4(3)9)11-7(12)13/h1-2,11H,(H,12,13)
InChIKeyXAWXCRLXEKOUSO-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
N-(2,4,5-trifluorophenyl)propanamide
CID 63372836
2-bromo-N-(2,4,5-trifluorophenyl)acetamide
CID 63678606
2-hydroxy-2-methyl-N-(2,4,5-trifluorophenyl)propanamide
CID 104936943
(2R)-2-[(2,4,5-trifluorophenyl)carbamoylamino]propanoic acid
CID 78917560
(2S)-2-amino-N-(2,4,5-trifluorophenyl)propanamide
CID 62816267
3-[(2,4,5-trifluorophenyl)carbamoyl]benzoic acid
CID 62811130
1,1-diethyl-3-(2,4,5-trifluorophenyl)urea
CID 115613885
1-N',2-N'-bis(2,4,5-trifluorophenyl)ethanedihydrazide
CID 138620273
4-methyl-2-[(2,4,5-trifluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390949
[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamic acid
CID 175536008
(2-amino-4-fluorophenyl)carbamic acid
CID 22318019

Frequently Asked Questions

What is the IUPAC name of (2,4,5-trifluorophenyl)carbamic acid?
The IUPAC name of (2,4,5-trifluorophenyl)carbamic acid (CID 89413895) is (2,4,5-trifluorophenyl)carbamic acid.
What is the SMILES notation for (2,4,5-trifluorophenyl)carbamic acid?
The canonical SMILES for (2,4,5-trifluorophenyl)carbamic acid is O=C(O)Nc1cc(F)c(F)cc1F.
What is the InChIKey of (2,4,5-trifluorophenyl)carbamic acid?
The InChIKey is XAWXCRLXEKOUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2/c8-3-1-5(10)6(2-4(3)9)11-7(12)13/h1-2,11H,(H,12,13).
What are the key properties of (2,4,5-trifluorophenyl)carbamic acid?
(2,4,5-trifluorophenyl)carbamic acid has a molecular weight of 191.11 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,5-trifluorophenyl)carbamic acid is sourced from PubChem (CID 89413895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).