[4-[(1,1-difluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate

C11H20F2N2O2 — CID 175221755

IUPAC[4-[(1,1-difluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate
SMILESCC(C)(NC1CCC(OC(N)=O)CC1)C(F)F
InChIInChI=1S/C11H20F2N2O2/c1-11(2,9(12)13)15-7-3-5-8(6-4-7)17-10(14)16/h7-9,15H,3-6H2,1-2H3,(H2,14,16)
InChIKeyHUPPVKDBUSNGOU-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.03
Rot. Bonds4

About [4-[(1,1-difluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate

[4-[(1,1-difluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate (PubChem CID 175221755) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is [4-[(1,1-difluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate.

Molecular Properties

Compound Name[4-[(1,1-difluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate
PubChem CID175221755
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name[4-[(1,1-difluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate
SMILESCC(C)(NC1CCC(OC(N)=O)CC1)C(F)F
InChIInChI=1S/C11H20F2N2O2/c1-11(2,9(12)13)15-7-3-5-8(6-4-7)17-10(14)16/h7-9,15H,3-6H2,1-2H3,(H2,14,16)
InChIKeyHUPPVKDBUSNGOU-UHFFFAOYSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(1,1-difluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate?
The IUPAC name of [4-[(1,1-difluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate (CID 175221755) is [4-[(1,1-difluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate.
What is the SMILES notation for [4-[(1,1-difluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate?
The canonical SMILES for [4-[(1,1-difluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate is CC(C)(NC1CCC(OC(N)=O)CC1)C(F)F.
What is the InChIKey of [4-[(1,1-difluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate?
The InChIKey is HUPPVKDBUSNGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-11(2,9(12)13)15-7-3-5-8(6-4-7)17-10(14)16/h7-9,15H,3-6H2,1-2H3,(H2,14,16).
What are the key properties of [4-[(1,1-difluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate?
[4-[(1,1-difluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate has a molecular weight of 250.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1,1-difluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate is sourced from PubChem (CID 175221755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).