[4-(2,2,3,3,3-pentafluoropropoxy)phenyl] carbamate

C10H8F5NO3 — CID 18703596

IUPAC[4-(2,2,3,3,3-pentafluoropropoxy)phenyl] carbamate
SMILESNC(=O)Oc1ccc(OCC(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C10H8F5NO3/c11-9(12,10(13,14)15)5-18-6-1-3-7(4-2-6)19-8(16)17/h1-4H,5H2,(H2,16,17)
InChIKeyLDTQJDGTVGYYBI-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.72
Rot. Bonds4

About [4-(2,2,3,3,3-pentafluoropropoxy)phenyl] carbamate

[4-(2,2,3,3,3-pentafluoropropoxy)phenyl] carbamate (PubChem CID 18703596) has the molecular formula C10H8F5NO3 and a molecular weight of 285.17 g/mol. Its IUPAC name is [4-(2,2,3,3,3-pentafluoropropoxy)phenyl] carbamate.

Molecular Properties

Compound Name[4-(2,2,3,3,3-pentafluoropropoxy)phenyl] carbamate
PubChem CID18703596
Molecular FormulaC10H8F5NO3
Molecular Weight285.17 g/mol
Exact Mass285.04
IUPAC Name[4-(2,2,3,3,3-pentafluoropropoxy)phenyl] carbamate
SMILESNC(=O)Oc1ccc(OCC(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C10H8F5NO3/c11-9(12,10(13,14)15)5-18-6-1-3-7(4-2-6)19-8(16)17/h1-4H,5H2,(H2,16,17)
InChIKeyLDTQJDGTVGYYBI-UHFFFAOYSA-N
XLogP2.72
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2,3,3,3-pentafluoropropoxy)phenyl] carbamate?
The IUPAC name of [4-(2,2,3,3,3-pentafluoropropoxy)phenyl] carbamate (CID 18703596) is [4-(2,2,3,3,3-pentafluoropropoxy)phenyl] carbamate.
What is the SMILES notation for [4-(2,2,3,3,3-pentafluoropropoxy)phenyl] carbamate?
The canonical SMILES for [4-(2,2,3,3,3-pentafluoropropoxy)phenyl] carbamate is NC(=O)Oc1ccc(OCC(F)(F)C(F)(F)F)cc1.
What is the InChIKey of [4-(2,2,3,3,3-pentafluoropropoxy)phenyl] carbamate?
The InChIKey is LDTQJDGTVGYYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NO3/c11-9(12,10(13,14)15)5-18-6-1-3-7(4-2-6)19-8(16)17/h1-4H,5H2,(H2,16,17).
What are the key properties of [4-(2,2,3,3,3-pentafluoropropoxy)phenyl] carbamate?
[4-(2,2,3,3,3-pentafluoropropoxy)phenyl] carbamate has a molecular weight of 285.17 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,3,3,3-pentafluoropropoxy)phenyl] carbamate is sourced from PubChem (CID 18703596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).