2-propyl-5-[4-(trifluoromethoxy)cyclohexyl]oxolane

C14H23F3O2 — CID 58555466

IUPAC2-propyl-5-[4-(trifluoromethoxy)cyclohexyl]oxolane
SMILESCCCC1CCC(C2CCC(OC(F)(F)F)CC2)O1
InChIInChI=1S/C14H23F3O2/c1-2-3-11-8-9-13(18-11)10-4-6-12(7-5-10)19-14(15,16)17/h10-13H,2-9H2,1H3
InChIKeyHZSVMASSMDXDSN-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.43
Rot. Bonds4

About 2-propyl-5-[4-(trifluoromethoxy)cyclohexyl]oxolane

2-propyl-5-[4-(trifluoromethoxy)cyclohexyl]oxolane (PubChem CID 58555466) has the molecular formula C14H23F3O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-propyl-5-[4-(trifluoromethoxy)cyclohexyl]oxolane.

Molecular Properties

Compound Name2-propyl-5-[4-(trifluoromethoxy)cyclohexyl]oxolane
PubChem CID58555466
Molecular FormulaC14H23F3O2
Molecular Weight280.33 g/mol
Exact Mass280.17
IUPAC Name2-propyl-5-[4-(trifluoromethoxy)cyclohexyl]oxolane
SMILESCCCC1CCC(C2CCC(OC(F)(F)F)CC2)O1
InChIInChI=1S/C14H23F3O2/c1-2-3-11-8-9-13(18-11)10-4-6-12(7-5-10)19-14(15,16)17/h10-13H,2-9H2,1H3
InChIKeyHZSVMASSMDXDSN-UHFFFAOYSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethenylcyclohexyl)-5-propyloxolane
CID 58555438
2-(4-propylcyclohexyl)-6-(trifluoromethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22352805
2-cyclopropyl-5-ethyloxolane
CID 170980381
[3-fluoro-4-(trifluoromethyl)phenyl] 4-[4-(5-propyloxolan-2-yl)cyclohexyl]cyclohexane-1-carboxylate
CID 58555433
[(2R,5S)-5-cyclopropyloxolan-2-yl]methanamine
CID 155905472
1-(2-cyclohexylethyl)-4-(trifluoromethoxy)cyclohexane
CID 90243596
2-cyclopropyl-5-(2-methylpropyl)oxolane
CID 171468248
2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane
CID 58620720
2-[4-[4-[4-[(E)-pent-3-enyl]phenyl]cyclohexyl]cyclohexyl]-5-propyloxolane
CID 58555880
2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-ethyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-pentyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-propyloxolane;methane
CID 162022407
trifluoromethoxycyclobutane
CID 118087158
4-(trifluoromethoxy)cyclohexan-1-ol
CID 137347053

Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-[4-(trifluoromethoxy)cyclohexyl]oxolane?
The IUPAC name of 2-propyl-5-[4-(trifluoromethoxy)cyclohexyl]oxolane (CID 58555466) is 2-propyl-5-[4-(trifluoromethoxy)cyclohexyl]oxolane.
What is the SMILES notation for 2-propyl-5-[4-(trifluoromethoxy)cyclohexyl]oxolane?
The canonical SMILES for 2-propyl-5-[4-(trifluoromethoxy)cyclohexyl]oxolane is CCCC1CCC(C2CCC(OC(F)(F)F)CC2)O1.
What is the InChIKey of 2-propyl-5-[4-(trifluoromethoxy)cyclohexyl]oxolane?
The InChIKey is HZSVMASSMDXDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3O2/c1-2-3-11-8-9-13(18-11)10-4-6-12(7-5-10)19-14(15,16)17/h10-13H,2-9H2,1H3.
What are the key properties of 2-propyl-5-[4-(trifluoromethoxy)cyclohexyl]oxolane?
2-propyl-5-[4-(trifluoromethoxy)cyclohexyl]oxolane has a molecular weight of 280.33 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-[4-(trifluoromethoxy)cyclohexyl]oxolane is sourced from PubChem (CID 58555466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).