1-(4-fluorophenyl)ethyl N,N-di(propan-2-yl)carbamate

C15H22FNO2 — CID 154719138

IUPAC1-(4-fluorophenyl)ethyl N,N-di(propan-2-yl)carbamate
SMILESCC(OC(=O)N(C(C)C)C(C)C)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-10(2)17(11(3)4)15(18)19-12(5)13-6-8-14(16)9-7-13/h6-12H,1-5H3
InChIKeyQJSLKTPOZCXFQO-UHFFFAOYSA-N
MW267.34 g/mol
LogP4.14
Rot. Bonds4

About 1-(4-fluorophenyl)ethyl N,N-di(propan-2-yl)carbamate

1-(4-fluorophenyl)ethyl N,N-di(propan-2-yl)carbamate (PubChem CID 154719138) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)ethyl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name1-(4-fluorophenyl)ethyl N,N-di(propan-2-yl)carbamate
PubChem CID154719138
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-(4-fluorophenyl)ethyl N,N-di(propan-2-yl)carbamate
SMILESCC(OC(=O)N(C(C)C)C(C)C)c1ccc(F)cc1
InChIInChI=1S/C15H22FNO2/c1-10(2)17(11(3)4)15(18)19-12(5)13-6-8-14(16)9-7-13/h6-12H,1-5H3
InChIKeyQJSLKTPOZCXFQO-UHFFFAOYSA-N
XLogP4.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)ethyl N,N-di(propan-2-yl)carbamate?
The IUPAC name of 1-(4-fluorophenyl)ethyl N,N-di(propan-2-yl)carbamate (CID 154719138) is 1-(4-fluorophenyl)ethyl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for 1-(4-fluorophenyl)ethyl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for 1-(4-fluorophenyl)ethyl N,N-di(propan-2-yl)carbamate is CC(OC(=O)N(C(C)C)C(C)C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)ethyl N,N-di(propan-2-yl)carbamate?
The InChIKey is QJSLKTPOZCXFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-10(2)17(11(3)4)15(18)19-12(5)13-6-8-14(16)9-7-13/h6-12H,1-5H3.
What are the key properties of 1-(4-fluorophenyl)ethyl N,N-di(propan-2-yl)carbamate?
1-(4-fluorophenyl)ethyl N,N-di(propan-2-yl)carbamate has a molecular weight of 267.34 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)ethyl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 154719138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).