(4-aminocyclohexyl) N-(2,2,2-trifluoroethyl)carbamate

C9H15F3N2O2 — CID 102729390

IUPAC(4-aminocyclohexyl) N-(2,2,2-trifluoroethyl)carbamate
SMILESNC1CCC(OC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-14-8(15)16-7-3-1-6(13)2-4-7/h6-7H,1-5,13H2,(H,14,15)
InChIKeyKWIHSNHAYMQPEJ-UHFFFAOYSA-N
MW240.22 g/mol
LogP1.54
Rot. Bonds2

About (4-aminocyclohexyl) N-(2,2,2-trifluoroethyl)carbamate

(4-aminocyclohexyl) N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 102729390) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is (4-aminocyclohexyl) N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Name(4-aminocyclohexyl) N-(2,2,2-trifluoroethyl)carbamate
PubChem CID102729390
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name(4-aminocyclohexyl) N-(2,2,2-trifluoroethyl)carbamate
SMILESNC1CCC(OC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)5-14-8(15)16-7-3-1-6(13)2-4-7/h6-7H,1-5,13H2,(H,14,15)
InChIKeyKWIHSNHAYMQPEJ-UHFFFAOYSA-N
XLogP1.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl) N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of (4-aminocyclohexyl) N-(2,2,2-trifluoroethyl)carbamate (CID 102729390) is (4-aminocyclohexyl) N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for (4-aminocyclohexyl) N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for (4-aminocyclohexyl) N-(2,2,2-trifluoroethyl)carbamate is NC1CCC(OC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of (4-aminocyclohexyl) N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is KWIHSNHAYMQPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)5-14-8(15)16-7-3-1-6(13)2-4-7/h6-7H,1-5,13H2,(H,14,15).
What are the key properties of (4-aminocyclohexyl) N-(2,2,2-trifluoroethyl)carbamate?
(4-aminocyclohexyl) N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 240.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl) N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 102729390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).