1-(2-ethoxyethyl)-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane

C19H33F3O — CID 19026523

IUPAC1-(2-ethoxyethyl)-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane
SMILESCCOCCC1CCC(C2CCC(CCC(F)(F)F)CC2)CC1
InChIInChI=1S/C19H33F3O/c1-2-23-14-12-16-5-9-18(10-6-16)17-7-3-15(4-8-17)11-13-19(20,21)22/h15-18H,2-14H2,1H3
InChIKeyIHMXMHWDZFJCMH-UHFFFAOYSA-N
MW334.47 g/mol
LogP6.37
Rot. Bonds7

About 1-(2-ethoxyethyl)-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane

1-(2-ethoxyethyl)-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane (PubChem CID 19026523) has the molecular formula C19H33F3O and a molecular weight of 334.47 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane
PubChem CID19026523
Molecular FormulaC19H33F3O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name1-(2-ethoxyethyl)-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane
SMILESCCOCCC1CCC(C2CCC(CCC(F)(F)F)CC2)CC1
InChIInChI=1S/C19H33F3O/c1-2-23-14-12-16-5-9-18(10-6-16)17-7-3-15(4-8-17)11-13-19(20,21)22/h15-18H,2-14H2,1H3
InChIKeyIHMXMHWDZFJCMH-UHFFFAOYSA-N
XLogP6.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.47
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(Methoxymethyl)-4'-pentyl-1,1'-bi(cyclohexane)
CID 565313
1-Ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)cyclohexane
CID 57298880
1-Ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 118971049
1,1'-Bicyclohexyl, 4-(methoxymethyl)-4'-propyl-
CID 565325
1-(1,1,2,2,2-Pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 11198653
(1alpha,1'beta)-4beta-Pentyl-4'alpha-(trifluoromethoxy)-1,1'-bicyclohexane
CID 15002009
1-Methyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
CID 15002010
1-Propyl-4-[4-(trifluoromethoxy)cyclohexyl]cyclohexane
CID 15002012
1-Propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane
CID 15218814
1-(2,2-Difluoroethenoxymethyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 15390289
1-(2-Fluoroethyl)-4-[4-[4-(methoxymethyl)cyclohexyl]cyclohexyl]cyclohexane
CID 18344053
1-Ethoxy-4-[4-(2-fluoroethyl)cyclohexyl]cyclohexane
CID 18344108

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane?
The IUPAC name of 1-(2-ethoxyethyl)-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane (CID 19026523) is 1-(2-ethoxyethyl)-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane.
What is the SMILES notation for 1-(2-ethoxyethyl)-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane?
The canonical SMILES for 1-(2-ethoxyethyl)-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane is CCOCCC1CCC(C2CCC(CCC(F)(F)F)CC2)CC1.
What is the InChIKey of 1-(2-ethoxyethyl)-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane?
The InChIKey is IHMXMHWDZFJCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33F3O/c1-2-23-14-12-16-5-9-18(10-6-16)17-7-3-15(4-8-17)11-13-19(20,21)22/h15-18H,2-14H2,1H3.
What are the key properties of 1-(2-ethoxyethyl)-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane?
1-(2-ethoxyethyl)-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane has a molecular weight of 334.47 g/mol, XLogP of 6.37, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-4-[4-(3,3,3-trifluoropropyl)cyclohexyl]cyclohexane is sourced from PubChem (CID 19026523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).