[2-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate

C11H15F3O2 — CID 141230505

IUPAC[2-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCCC1C(F)(F)F
InChIInChI=1S/C11H15F3O2/c1-7(2)10(15)16-9-6-4-3-5-8(9)11(12,13)14/h8-9H,1,3-6H2,2H3
InChIKeyNFKUDJDLWWTNKF-UHFFFAOYSA-N
MW236.23 g/mol
LogP3.23
Rot. Bonds2

About [2-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate

[2-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate (PubChem CID 141230505) has the molecular formula C11H15F3O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is [2-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate
PubChem CID141230505
Molecular FormulaC11H15F3O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Name[2-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCCCC1C(F)(F)F
InChIInChI=1S/C11H15F3O2/c1-7(2)10(15)16-9-6-4-3-5-8(9)11(12,13)14/h8-9H,1,3-6H2,2H3
InChIKeyNFKUDJDLWWTNKF-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-fluorocyclopentyl) 2-methylprop-2-enoate
CID 175110305
[5-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate
CID 167044480
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl 2-methylprop-2-enoate
CID 18400373
[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] 2-methylprop-2-enoate
CID 58819273
[(1R)-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-1-yl] 2-methylprop-2-enoate
CID 18448264
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
[2-[2-(3,3,3-trifluoro-2-hydroxy-2-methylpropoxy)propan-2-yl]cyclobutyl] 2-methylprop-2-enoate
CID 129118471
[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl] 2-methylprop-2-enoate
CID 58695475
cis-methyl (1S,2R)-2-(trifluoromethyl)cyclohexane-1-carboxylate
CID 129381648
[3-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate
CID 141230504
bis[2-(trifluoromethyl)cyclobutyl] 2-methylidenebutanedioate
CID 139640325
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate (CID 141230505) is [2-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCCCC1C(F)(F)F.
What is the InChIKey of [2-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate?
The InChIKey is NFKUDJDLWWTNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O2/c1-7(2)10(15)16-9-6-4-3-5-8(9)11(12,13)14/h8-9H,1,3-6H2,2H3.
What are the key properties of [2-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate?
[2-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate has a molecular weight of 236.23 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)cyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 141230505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).