(1,1-difluoro-2-methylpropan-2-yl) N-methylcarbamate

C6H11F2NO2 — CID 144609628

IUPAC(1,1-difluoro-2-methylpropan-2-yl) N-methylcarbamate
SMILESCNC(=O)OC(C)(C)C(F)F
InChIInChI=1S/C6H11F2NO2/c1-6(2,4(7)8)11-5(10)9-3/h4H,1-3H3,(H,9,10)
InChIKeyLDDHSWVXVJXRPV-UHFFFAOYSA-N
MW167.15 g/mol
LogP1.39
Rot. Bonds2

About (1,1-difluoro-2-methylpropan-2-yl) N-methylcarbamate

(1,1-difluoro-2-methylpropan-2-yl) N-methylcarbamate (PubChem CID 144609628) has the molecular formula C6H11F2NO2 and a molecular weight of 167.15 g/mol. Its IUPAC name is (1,1-difluoro-2-methylpropan-2-yl) N-methylcarbamate.

Molecular Properties

Compound Name(1,1-difluoro-2-methylpropan-2-yl) N-methylcarbamate
PubChem CID144609628
Molecular FormulaC6H11F2NO2
Molecular Weight167.15 g/mol
Exact Mass167.08
IUPAC Name(1,1-difluoro-2-methylpropan-2-yl) N-methylcarbamate
SMILESCNC(=O)OC(C)(C)C(F)F
InChIInChI=1S/C6H11F2NO2/c1-6(2,4(7)8)11-5(10)9-3/h4H,1-3H3,(H,9,10)
InChIKeyLDDHSWVXVJXRPV-UHFFFAOYSA-N
XLogP1.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.15
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-2-methylpropan-2-yl) N-methylcarbamate?
The IUPAC name of (1,1-difluoro-2-methylpropan-2-yl) N-methylcarbamate (CID 144609628) is (1,1-difluoro-2-methylpropan-2-yl) N-methylcarbamate.
What is the SMILES notation for (1,1-difluoro-2-methylpropan-2-yl) N-methylcarbamate?
The canonical SMILES for (1,1-difluoro-2-methylpropan-2-yl) N-methylcarbamate is CNC(=O)OC(C)(C)C(F)F.
What is the InChIKey of (1,1-difluoro-2-methylpropan-2-yl) N-methylcarbamate?
The InChIKey is LDDHSWVXVJXRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c1-6(2,4(7)8)11-5(10)9-3/h4H,1-3H3,(H,9,10).
What are the key properties of (1,1-difluoro-2-methylpropan-2-yl) N-methylcarbamate?
(1,1-difluoro-2-methylpropan-2-yl) N-methylcarbamate has a molecular weight of 167.15 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-2-methylpropan-2-yl) N-methylcarbamate is sourced from PubChem (CID 144609628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).