1-[3-(trifluoromethyl)phenoxy]butyl N-(2-hydroxypropyl)carbamate

C15H20F3NO4 — CID 67675380

IUPAC1-[3-(trifluoromethyl)phenoxy]butyl N-(2-hydroxypropyl)carbamate
SMILESCCCC(OC(=O)NCC(C)O)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO4/c1-3-5-13(23-14(21)19-9-10(2)20)22-12-7-4-6-11(8-12)15(16,17)18/h4,6-8,10,13,20H,3,5,9H2,1-2H3,(H,19,21)
InChIKeySLCIPBFGAPGZID-UHFFFAOYSA-N
MW335.32 g/mol
LogP3.32
Rot. Bonds7

About 1-[3-(trifluoromethyl)phenoxy]butyl N-(2-hydroxypropyl)carbamate

1-[3-(trifluoromethyl)phenoxy]butyl N-(2-hydroxypropyl)carbamate (PubChem CID 67675380) has the molecular formula C15H20F3NO4 and a molecular weight of 335.32 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenoxy]butyl N-(2-hydroxypropyl)carbamate.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenoxy]butyl N-(2-hydroxypropyl)carbamate
PubChem CID67675380
Molecular FormulaC15H20F3NO4
Molecular Weight335.32 g/mol
Exact Mass335.13
IUPAC Name1-[3-(trifluoromethyl)phenoxy]butyl N-(2-hydroxypropyl)carbamate
SMILESCCCC(OC(=O)NCC(C)O)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H20F3NO4/c1-3-5-13(23-14(21)19-9-10(2)20)22-12-7-4-6-11(8-12)15(16,17)18/h4,6-8,10,13,20H,3,5,9H2,1-2H3,(H,19,21)
InChIKeySLCIPBFGAPGZID-UHFFFAOYSA-N
XLogP3.32
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[3-(trifluoromethyl)phenoxy]butyl N-(2-hydroxypropyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-pentan-2-yloxy-3-(trifluoromethyl)benzene
CID 54046925
2-[3-(trifluoromethyl)phenoxy]pentan-3-one
CID 64868237
2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149
N-methyl-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 62456852
(3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one
CID 6934258
1-[3-[3-(trifluoromethyl)phenoxy]propylamino]propan-2-ol
CID 2977000
N-propan-2-yl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 62456493
N-[2-[3-(trifluoromethyl)phenoxy]propyl]butan-2-amine
CID 62597829
N-(2-methylpropyl)-2-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 62457234
3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 47932930
(2R)-2-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]propanamide
CID 119296655
1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 43166208

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenoxy]butyl N-(2-hydroxypropyl)carbamate?
The IUPAC name of 1-[3-(trifluoromethyl)phenoxy]butyl N-(2-hydroxypropyl)carbamate (CID 67675380) is 1-[3-(trifluoromethyl)phenoxy]butyl N-(2-hydroxypropyl)carbamate.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenoxy]butyl N-(2-hydroxypropyl)carbamate?
The canonical SMILES for 1-[3-(trifluoromethyl)phenoxy]butyl N-(2-hydroxypropyl)carbamate is CCCC(OC(=O)NCC(C)O)Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenoxy]butyl N-(2-hydroxypropyl)carbamate?
The InChIKey is SLCIPBFGAPGZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO4/c1-3-5-13(23-14(21)19-9-10(2)20)22-12-7-4-6-11(8-12)15(16,17)18/h4,6-8,10,13,20H,3,5,9H2,1-2H3,(H,19,21).
What are the key properties of 1-[3-(trifluoromethyl)phenoxy]butyl N-(2-hydroxypropyl)carbamate?
1-[3-(trifluoromethyl)phenoxy]butyl N-(2-hydroxypropyl)carbamate has a molecular weight of 335.32 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenoxy]butyl N-(2-hydroxypropyl)carbamate is sourced from PubChem (CID 67675380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).