tert-butyl N-[4-(trifluoromethyl)cyclohexyl]carbamate

C12H20F3NO2 — CID 60872775

IUPACtert-butyl N-[4-(trifluoromethyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-11(2,3)18-10(17)16-9-6-4-8(5-7-9)12(13,14)15/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyHEKAXYUUIHGWJX-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.63
Rot. Bonds1

About tert-butyl N-[4-(trifluoromethyl)cyclohexyl]carbamate

tert-butyl N-[4-(trifluoromethyl)cyclohexyl]carbamate (PubChem CID 60872775) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is tert-butyl N-[4-(trifluoromethyl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(trifluoromethyl)cyclohexyl]carbamate
PubChem CID60872775
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Nametert-butyl N-[4-(trifluoromethyl)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-11(2,3)18-10(17)16-9-6-4-8(5-7-9)12(13,14)15/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyHEKAXYUUIHGWJX-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(trifluoromethyl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(trifluoromethyl)cyclohexyl]carbamate (CID 60872775) is tert-butyl N-[4-(trifluoromethyl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(trifluoromethyl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(trifluoromethyl)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of tert-butyl N-[4-(trifluoromethyl)cyclohexyl]carbamate?
The InChIKey is HEKAXYUUIHGWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-11(2,3)18-10(17)16-9-6-4-8(5-7-9)12(13,14)15/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[4-(trifluoromethyl)cyclohexyl]carbamate?
tert-butyl N-[4-(trifluoromethyl)cyclohexyl]carbamate has a molecular weight of 267.29 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(trifluoromethyl)cyclohexyl]carbamate is sourced from PubChem (CID 60872775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).