2,2,2-trifluoroethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate

C12H20F3NO3 — CID 65173907

IUPAC2,2,2-trifluoroethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate
SMILESCCC1CCC(O)(CNC(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO3/c1-2-9-3-5-11(18,6-4-9)7-16-10(17)19-8-12(13,14)15/h9,18H,2-8H2,1H3,(H,16,17)
InChIKeyBDUJGZPFTRCYCH-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.61
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate

2,2,2-trifluoroethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate (PubChem CID 65173907) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate
PubChem CID65173907
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name2,2,2-trifluoroethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate
SMILESCCC1CCC(O)(CNC(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO3/c1-2-9-3-5-11(18,6-4-9)7-16-10(17)19-8-12(13,14)15/h9,18H,2-8H2,1H3,(H,16,17)
InChIKeyBDUJGZPFTRCYCH-UHFFFAOYSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-[(1-hydroxycyclobutyl)methyl]carbamate
CID 115621942
9H-fluoren-9-ylmethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate
CID 65121619
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 65124264
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 65121763
3-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]butanamide
CID 65118910
2-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylbutanamide
CID 65120338
1-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylguanidine
CID 65123888
4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-4-oxobutanoic acid
CID 65117218
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 111112881
1-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-methylcyclohexane-1-carboxamide
CID 65119100
6-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-methylhexanamide
CID 65119052
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124263

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate (CID 65173907) is 2,2,2-trifluoroethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate is CCC1CCC(O)(CNC(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate?
The InChIKey is BDUJGZPFTRCYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-2-9-3-5-11(18,6-4-9)7-16-10(17)19-8-12(13,14)15/h9,18H,2-8H2,1H3,(H,16,17).
What are the key properties of 2,2,2-trifluoroethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate?
2,2,2-trifluoroethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate has a molecular weight of 283.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate is sourced from PubChem (CID 65173907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).