(2R,5S)-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]oxane

C15H25F3O — CID 102407968

IUPAC(2R,5S)-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]oxane
SMILESCCC[C@H]1CC[C@H](C2CCC(C(F)(F)F)CC2)OC1
InChIInChI=1S/C15H25F3O/c1-2-3-11-4-9-14(19-10-11)12-5-7-13(8-6-12)15(16,17)18/h11-14H,2-10H2,1H3/t11-,12?,13?,14+/m0/s1
InChIKeyQHVWHRGJYPWJFO-GFJIZPEISA-N
MW278.36 g/mol
LogP4.95
Rot. Bonds3

About (2R,5S)-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]oxane

(2R,5S)-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]oxane (PubChem CID 102407968) has the molecular formula C15H25F3O and a molecular weight of 278.36 g/mol. Its IUPAC name is (2R,5S)-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]oxane.

Molecular Properties

Compound Name(2R,5S)-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]oxane
PubChem CID102407968
Molecular FormulaC15H25F3O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name(2R,5S)-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]oxane
SMILESCCC[C@H]1CC[C@H](C2CCC(C(F)(F)F)CC2)OC1
InChIInChI=1S/C15H25F3O/c1-2-3-11-4-9-14(19-10-11)12-5-7-13(8-6-12)15(16,17)18/h11-14H,2-10H2,1H3/t11-,12?,13?,14+/m0/s1
InChIKeyQHVWHRGJYPWJFO-GFJIZPEISA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R,5S)-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]oxane 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

2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane
CID 58620720
[4-(5-propyloxan-2-yl)cyclohexyl]boronic acid
CID 140501060
2-[4-(2,2-difluoroethenyl)cyclohexyl]-5-propyloxane
CID 20599558
2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-5-propyloxane
CID 126501483
[4-[2-[4-(5-propyloxan-2-yl)cyclohexyl]ethyl]phenyl]methanol
CID 70829402
5-[2-(4-ethylcyclohexyl)ethenyl]-2-(4-propylcyclohexyl)oxane
CID 76840358
1-[4-[difluoro-[4-[4-(5-propyloxan-2-yl)cyclohexyl]cyclohexyl]methoxy]-2-hydroxyphenyl]propan-1-one
CID 58942461
[4-[5-[(E)-2-(4-propylcyclohexyl)ethenyl]oxan-2-yl]cyclohexyl]methanol
CID 70829400
2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]-5-pentyloxane;molecular hydrogen
CID 161263731
2-[4-[[4-[[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenoxy]-difluoromethyl]phenoxy]-difluoromethyl]cyclohexyl]-5-propyloxane
CID 90180284
5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]-2-(4-propylcyclohexyl)oxane
CID 58535630
2-[4-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluorophenyl]cyclohexyl]-5-propyloxane
CID 140749869

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]oxane?
The IUPAC name of (2R,5S)-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]oxane (CID 102407968) is (2R,5S)-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]oxane.
What is the SMILES notation for (2R,5S)-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]oxane?
The canonical SMILES for (2R,5S)-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]oxane is CCC[C@H]1CC[C@H](C2CCC(C(F)(F)F)CC2)OC1.
What is the InChIKey of (2R,5S)-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]oxane?
The InChIKey is QHVWHRGJYPWJFO-GFJIZPEISA-N. The full InChI is InChI=1S/C15H25F3O/c1-2-3-11-4-9-14(19-10-11)12-5-7-13(8-6-12)15(16,17)18/h11-14H,2-10H2,1H3/t11-,12?,13?,14+/m0/s1.
What are the key properties of (2R,5S)-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]oxane?
(2R,5S)-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]oxane has a molecular weight of 278.36 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-propyl-2-[4-(trifluoromethyl)cyclohexyl]oxane is sourced from PubChem (CID 102407968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).