cyclopentyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate

C11H15F6NO2 — CID 1224888

IUPACcyclopentyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate
SMILESCCC(NC(=O)OC1CCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F6NO2/c1-2-9(10(12,13)14,11(15,16)17)18-8(19)20-7-5-3-4-6-7/h7H,2-6H2,1H3,(H,18,19)
InChIKeyLVTZJQKMRVCCHX-UHFFFAOYSA-N
MW307.23 g/mol
LogP3.93
Rot. Bonds3

About cyclopentyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate

cyclopentyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate (PubChem CID 1224888) has the molecular formula C11H15F6NO2 and a molecular weight of 307.23 g/mol. Its IUPAC name is cyclopentyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate
PubChem CID1224888
Molecular FormulaC11H15F6NO2
Molecular Weight307.23 g/mol
Exact Mass307.10
IUPAC Namecyclopentyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate
SMILESCCC(NC(=O)OC1CCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F6NO2/c1-2-9(10(12,13)14,11(15,16)17)18-8(19)20-7-5-3-4-6-7/h7H,2-6H2,1H3,(H,18,19)
InChIKeyLVTZJQKMRVCCHX-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate?
The IUPAC name of cyclopentyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate (CID 1224888) is cyclopentyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate.
What is the SMILES notation for cyclopentyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate?
The canonical SMILES for cyclopentyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate is CCC(NC(=O)OC1CCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of cyclopentyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate?
The InChIKey is LVTZJQKMRVCCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F6NO2/c1-2-9(10(12,13)14,11(15,16)17)18-8(19)20-7-5-3-4-6-7/h7H,2-6H2,1H3,(H,18,19).
What are the key properties of cyclopentyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate?
cyclopentyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate has a molecular weight of 307.23 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[1,1,1-trifluoro-2-(trifluoromethyl)butan-2-yl]carbamate is sourced from PubChem (CID 1224888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).