(4-cyclohexylcyclohexyl) 2,2,2-trifluoroacetate

C14H21F3O2 — CID 91692563

IUPAC(4-cyclohexylcyclohexyl) 2,2,2-trifluoroacetate
SMILESO=C(OC1CCC(C2CCCCC2)CC1)C(F)(F)F
InChIInChI=1S/C14H21F3O2/c15-14(16,17)13(18)19-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h10-12H,1-9H2
InChIKeyNVHXOEXACNMJOX-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.23
Rot. Bonds2

About (4-cyclohexylcyclohexyl) 2,2,2-trifluoroacetate

(4-cyclohexylcyclohexyl) 2,2,2-trifluoroacetate (PubChem CID 91692563) has the molecular formula C14H21F3O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is (4-cyclohexylcyclohexyl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(4-cyclohexylcyclohexyl) 2,2,2-trifluoroacetate
PubChem CID91692563
Molecular FormulaC14H21F3O2
Molecular Weight278.31 g/mol
Exact Mass278.15
IUPAC Name(4-cyclohexylcyclohexyl) 2,2,2-trifluoroacetate
SMILESO=C(OC1CCC(C2CCCCC2)CC1)C(F)(F)F
InChIInChI=1S/C14H21F3O2/c15-14(16,17)13(18)19-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h10-12H,1-9H2
InChIKeyNVHXOEXACNMJOX-UHFFFAOYSA-N
XLogP4.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-cyclohexylcyclohexyl) 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cycloheptyl 2-bromo-2,2-difluoroacetate
CID 135281025
[4-(2,2,2-trifluoroacetyl)oxycyclohexyl] 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 20615037
2-cycloheptyloxy-1,1-difluoro-2-oxoethanesulfonic acid
CID 87141583
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cyclohexyl (2S)-2,3,3,3-tetrafluoro-2-fluorosulfonylpropanoate
CID 98044014
cycloheptyl 2-methyl-2-(trifluoromethyl)butanoate
CID 59422991
(4-cyclohexylcyclohexyl) benzoate
CID 20686453
cyclohexane;(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
CID 175538194
[4-(2,2,2-trifluoroacetyl)oxyspiro[4.5]decan-10-yl] 2,2,2-trifluoroacetate
CID 142690231
[(2R,4aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate
CID 123494192
tricyclohexyl propane-1,1,1-tricarboxylate
CID 141164819
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylcyclohexyl) 2,2,2-trifluoroacetate?
The IUPAC name of (4-cyclohexylcyclohexyl) 2,2,2-trifluoroacetate (CID 91692563) is (4-cyclohexylcyclohexyl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (4-cyclohexylcyclohexyl) 2,2,2-trifluoroacetate?
The canonical SMILES for (4-cyclohexylcyclohexyl) 2,2,2-trifluoroacetate is O=C(OC1CCC(C2CCCCC2)CC1)C(F)(F)F.
What is the InChIKey of (4-cyclohexylcyclohexyl) 2,2,2-trifluoroacetate?
The InChIKey is NVHXOEXACNMJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3O2/c15-14(16,17)13(18)19-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h10-12H,1-9H2.
What are the key properties of (4-cyclohexylcyclohexyl) 2,2,2-trifluoroacetate?
(4-cyclohexylcyclohexyl) 2,2,2-trifluoroacetate has a molecular weight of 278.31 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylcyclohexyl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 91692563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).