[4-(2,2,2-trifluoroethoxy)cyclohexyl]carbamic acid

C9H14F3NO3 — CID 71238192

IUPAC[4-(2,2,2-trifluoroethoxy)cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCC(OCC(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)5-16-7-3-1-6(2-4-7)13-8(14)15/h6-7,13H,1-5H2,(H,14,15)
InChIKeyKZTMZSMWSHDGRD-UHFFFAOYSA-N
MW241.21 g/mol
LogP2.14
Rot. Bonds3

About [4-(2,2,2-trifluoroethoxy)cyclohexyl]carbamic acid

[4-(2,2,2-trifluoroethoxy)cyclohexyl]carbamic acid (PubChem CID 71238192) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is [4-(2,2,2-trifluoroethoxy)cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-(2,2,2-trifluoroethoxy)cyclohexyl]carbamic acid
PubChem CID71238192
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name[4-(2,2,2-trifluoroethoxy)cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCC(OCC(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)5-16-7-3-1-6(2-4-7)13-8(14)15/h6-7,13H,1-5H2,(H,14,15)
InChIKeyKZTMZSMWSHDGRD-UHFFFAOYSA-N
XLogP2.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoroethyl N-(4-hydroxycyclohexyl)carbamate
CID 45792173
trans-4-(2,2,3,3,3-Pentafluoropropanamido)cyclohexyl 2,2,3,3,3-pentafluoropropanoate
CID 91697604
trans-4-(2,2,2-Trifluoroacetamido)cyclohexyl 2,2,2-trifluoroacetate
CID 91697605
(2-Fluoro-4-hydroxycyclohexyl)carbamic acid
CID 117688355
[(1R,2S,4S)-2-fluoro-4-hydroxycyclohexyl]carbamic acid
CID 117688356
[(1S,2S,4R)-2-fluoro-4-hydroxycyclohexyl]carbamic acid
CID 117688425
[(3S,6R)-6-(fluoromethyl)oxan-3-yl]carbamic acid
CID 132260727
tert-butyl N-[4-(2,2-difluoroethoxy)cyclohexyl]carbamate
CID 134588505
[4-(2,2-Difluoroethoxy)cyclohexyl]carbamic acid
CID 134588523
[(1R,3S,4S)-3-fluoro-4-hydroxycyclohexyl]carbamic acid
CID 138628964
[(1R,3S,4R)-3-fluoro-4-hydroxycyclohexyl]carbamic acid
CID 138629004
[(1R,3R)-3-(2,2-difluoroethoxy)cyclopentyl]carbamic acid
CID 139529910

Frequently Asked Questions

What is the IUPAC name of [4-(2,2,2-trifluoroethoxy)cyclohexyl]carbamic acid?
The IUPAC name of [4-(2,2,2-trifluoroethoxy)cyclohexyl]carbamic acid (CID 71238192) is [4-(2,2,2-trifluoroethoxy)cyclohexyl]carbamic acid.
What is the SMILES notation for [4-(2,2,2-trifluoroethoxy)cyclohexyl]carbamic acid?
The canonical SMILES for [4-(2,2,2-trifluoroethoxy)cyclohexyl]carbamic acid is O=C(O)NC1CCC(OCC(F)(F)F)CC1.
What is the InChIKey of [4-(2,2,2-trifluoroethoxy)cyclohexyl]carbamic acid?
The InChIKey is KZTMZSMWSHDGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)5-16-7-3-1-6(2-4-7)13-8(14)15/h6-7,13H,1-5H2,(H,14,15).
What are the key properties of [4-(2,2,2-trifluoroethoxy)cyclohexyl]carbamic acid?
[4-(2,2,2-trifluoroethoxy)cyclohexyl]carbamic acid has a molecular weight of 241.21 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,2-trifluoroethoxy)cyclohexyl]carbamic acid is sourced from PubChem (CID 71238192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).