(3-fluorophenyl) N,N-di(propan-2-yl)carbamate

C13H18FNO2 — CID 25258913

IUPAC(3-fluorophenyl) N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)Oc1cccc(F)c1)C(C)C
InChIInChI=1S/C13H18FNO2/c1-9(2)15(10(3)4)13(16)17-12-7-5-6-11(14)8-12/h5-10H,1-4H3
InChIKeyKDPIVTSUDLRSCA-UHFFFAOYSA-N
MW239.29 g/mol
LogP3.44
Rot. Bonds3

About (3-fluorophenyl) N,N-di(propan-2-yl)carbamate

(3-fluorophenyl) N,N-di(propan-2-yl)carbamate (PubChem CID 25258913) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is (3-fluorophenyl) N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name(3-fluorophenyl) N,N-di(propan-2-yl)carbamate
PubChem CID25258913
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name(3-fluorophenyl) N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)Oc1cccc(F)c1)C(C)C
InChIInChI=1S/C13H18FNO2/c1-9(2)15(10(3)4)13(16)17-12-7-5-6-11(14)8-12/h5-10H,1-4H3
InChIKeyKDPIVTSUDLRSCA-UHFFFAOYSA-N
XLogP3.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl) N,N-di(propan-2-yl)carbamate?
The IUPAC name of (3-fluorophenyl) N,N-di(propan-2-yl)carbamate (CID 25258913) is (3-fluorophenyl) N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for (3-fluorophenyl) N,N-di(propan-2-yl)carbamate?
The canonical SMILES for (3-fluorophenyl) N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)Oc1cccc(F)c1)C(C)C.
What is the InChIKey of (3-fluorophenyl) N,N-di(propan-2-yl)carbamate?
The InChIKey is KDPIVTSUDLRSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9(2)15(10(3)4)13(16)17-12-7-5-6-11(14)8-12/h5-10H,1-4H3.
What are the key properties of (3-fluorophenyl) N,N-di(propan-2-yl)carbamate?
(3-fluorophenyl) N,N-di(propan-2-yl)carbamate has a molecular weight of 239.29 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl) N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 25258913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).