(3,5-difluorophenyl) N-propan-2-ylcarbamate

C10H11F2NO2 — CID 102253378

IUPAC(3,5-difluorophenyl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1cc(F)cc(F)c1
InChIInChI=1S/C10H11F2NO2/c1-6(2)13-10(14)15-9-4-7(11)3-8(12)5-9/h3-6H,1-2H3,(H,13,14)
InChIKeyQZVLMSRXAONKSG-UHFFFAOYSA-N
MW215.20 g/mol
LogP2.46
Rot. Bonds2

About (3,5-difluorophenyl) N-propan-2-ylcarbamate

(3,5-difluorophenyl) N-propan-2-ylcarbamate (PubChem CID 102253378) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is (3,5-difluorophenyl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(3,5-difluorophenyl) N-propan-2-ylcarbamate
PubChem CID102253378
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name(3,5-difluorophenyl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1cc(F)cc(F)c1
InChIInChI=1S/C10H11F2NO2/c1-6(2)13-10(14)15-9-4-7(11)3-8(12)5-9/h3-6H,1-2H3,(H,13,14)
InChIKeyQZVLMSRXAONKSG-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl) N-propan-2-ylcarbamate?
The IUPAC name of (3,5-difluorophenyl) N-propan-2-ylcarbamate (CID 102253378) is (3,5-difluorophenyl) N-propan-2-ylcarbamate.
What is the SMILES notation for (3,5-difluorophenyl) N-propan-2-ylcarbamate?
The canonical SMILES for (3,5-difluorophenyl) N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1cc(F)cc(F)c1.
What is the InChIKey of (3,5-difluorophenyl) N-propan-2-ylcarbamate?
The InChIKey is QZVLMSRXAONKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-6(2)13-10(14)15-9-4-7(11)3-8(12)5-9/h3-6H,1-2H3,(H,13,14).
What are the key properties of (3,5-difluorophenyl) N-propan-2-ylcarbamate?
(3,5-difluorophenyl) N-propan-2-ylcarbamate has a molecular weight of 215.20 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl) N-propan-2-ylcarbamate is sourced from PubChem (CID 102253378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).