2,2,2-trifluoroethyl N-(3-hydroxycyclohexyl)carbamate

C9H14F3NO3 — CID 61068490

IUPAC2,2,2-trifluoroethyl N-(3-hydroxycyclohexyl)carbamate
SMILESO=C(NC1CCCC(O)C1)OCC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)5-16-8(15)13-6-2-1-3-7(14)4-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyFGMNOLVVCTYZMU-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.58
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(3-hydroxycyclohexyl)carbamate

2,2,2-trifluoroethyl N-(3-hydroxycyclohexyl)carbamate (PubChem CID 61068490) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(3-hydroxycyclohexyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(3-hydroxycyclohexyl)carbamate
PubChem CID61068490
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2,2,2-trifluoroethyl N-(3-hydroxycyclohexyl)carbamate
SMILESO=C(NC1CCCC(O)C1)OCC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)5-16-8(15)13-6-2-1-3-7(14)4-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyFGMNOLVVCTYZMU-UHFFFAOYSA-N
XLogP1.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-Butyl (3-hydroxycyclohexyl)carbamate
CID 21925254
tert-butyl N-[(1S,3R)-3-hydroxycyclohexyl]carbamate
CID 29949041
Carbamic acid, N-[(1R,3S)-3-hydroxycyclohexyl]-, 1,1-dimethylethyl ester
CID 29949044
t-Butyl ((1S,3S)-3-hydroxycyclohexyl)carbamate
CID 29949049
2,2,2-trifluoroethyl N-(4-hydroxycyclohexyl)carbamate
CID 45792173
butyl [(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]carbamate
CID 86656431
2,2,2-trifluoro-N-[(3S)-3-hydroxycyclohexyl]acetamide
CID 132175271
[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamic acid
CID 134247577
(2-Fluoro-5-hydroxycyclohexyl)carbamic acid
CID 134247694
tert-butyl N-[(1S,2S,5R)-2-fluoro-5-hydroxycyclohexyl]carbamate
CID 134253028
(4,4-difluorocyclohexyl) N-(5-hydroxypentyl)carbamate
CID 177145475
(4,4-difluorocyclohexyl) N-[(3R)-3-hydroxybutyl]carbamate
CID 177145512

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(3-hydroxycyclohexyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(3-hydroxycyclohexyl)carbamate (CID 61068490) is 2,2,2-trifluoroethyl N-(3-hydroxycyclohexyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(3-hydroxycyclohexyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(3-hydroxycyclohexyl)carbamate is O=C(NC1CCCC(O)C1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(3-hydroxycyclohexyl)carbamate?
The InChIKey is FGMNOLVVCTYZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)5-16-8(15)13-6-2-1-3-7(14)4-6/h6-7,14H,1-5H2,(H,13,15).
What are the key properties of 2,2,2-trifluoroethyl N-(3-hydroxycyclohexyl)carbamate?
2,2,2-trifluoroethyl N-(3-hydroxycyclohexyl)carbamate has a molecular weight of 241.21 g/mol, XLogP of 1.58, 2 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-(3-hydroxycyclohexyl)carbamate is sourced from PubChem (CID 61068490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).