[2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid

C11H13F3N2O3 — CID 22317734

IUPAC[2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid
SMILESCCCOc1cc(NC(=O)O)c(N)cc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O3/c1-2-3-19-9-5-8(16-10(17)18)7(15)4-6(9)11(12,13)14/h4-5,16H,2-3,15H2,1H3,(H,17,18)
InChIKeyKSRVRLOEVOBGFA-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.17
Rot. Bonds4

About [2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid

[2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid (PubChem CID 22317734) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is [2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid
PubChem CID22317734
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name[2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid
SMILESCCCOc1cc(NC(=O)O)c(N)cc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O3/c1-2-3-19-9-5-8(16-10(17)18)7(15)4-6(9)11(12,13)14/h4-5,16H,2-3,15H2,1H3,(H,17,18)
InChIKeyKSRVRLOEVOBGFA-UHFFFAOYSA-N
XLogP3.17
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-(oxybis(2-amino-5-(trifluoromethyl)-4,1-phenylene))diacetamide
CID 171392865
N-[2-amino-5-[(4-fluorophenyl)methoxy]phenyl]acetamide
CID 178314903
N-[4-methyl-2-nitro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
CID 14011572
N-[2-amino-4-methyl-5-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide
CID 14011573
4-Methyl-5-(1,1,2,2-tetrafluoroethoxy)benzene-1,2-diamine
CID 14011574
tert-butyl N-[2-amino-4-[2-(4-fluorophenyl)ethynyl]-5-[(2-methylpropan-2-yl)oxy]phenyl]carbamate
CID 17906558
N-[2-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 17959351
[4-(2-Fluorophenyl)-2-nitro-5-(2,2,2-trifluoroethoxy)phenyl]carbamic acid
CID 18613431
[2-Amino-4-(2-fluorophenyl)-5-(2,2,2-trifluoroethoxy)phenyl]carbamic acid
CID 18613492
N-[4-(difluoromethoxy)-5-methyl-2-nitrophenyl]acetamide
CID 20189569
[2-Amino-4-(2-fluoro-6-methoxyphenyl)phenyl]carbamic acid
CID 22224772
[2-Amino-4-(2,2,2-trifluoroethoxy)phenyl]carbamic acid
CID 22317236

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid?
The IUPAC name of [2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid (CID 22317734) is [2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid.
What is the SMILES notation for [2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid?
The canonical SMILES for [2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid is CCCOc1cc(NC(=O)O)c(N)cc1C(F)(F)F.
What is the InChIKey of [2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid?
The InChIKey is KSRVRLOEVOBGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-2-3-19-9-5-8(16-10(17)18)7(15)4-6(9)11(12,13)14/h4-5,16H,2-3,15H2,1H3,(H,17,18).
What are the key properties of [2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid?
[2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid has a molecular weight of 278.23 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid is sourced from PubChem (CID 22317734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).