1-(4,4-difluoro-2-propan-2-yloxypentoxy)-3,4-diethyl-1-(trifluoromethyl)cyclopentane

C18H31F5O2 — CID 58107263

IUPAC1-(4,4-difluoro-2-propan-2-yloxypentoxy)-3,4-diethyl-1-(trifluoromethyl)cyclopentane
SMILESCCC1CC(OCC(CC(C)(F)F)OC(C)C)(C(F)(F)F)CC1CC
InChIInChI=1S/C18H31F5O2/c1-6-13-8-17(18(21,22)23,9-14(13)7-2)24-11-15(25-12(3)4)10-16(5,19)20/h12-15H,6-11H2,1-5H3
InChIKeyMGYWTFLXUILMFQ-UHFFFAOYSA-N
MW374.43 g/mol
LogP5.99
Rot. Bonds9

About 1-(4,4-difluoro-2-propan-2-yloxypentoxy)-3,4-diethyl-1-(trifluoromethyl)cyclopentane

1-(4,4-difluoro-2-propan-2-yloxypentoxy)-3,4-diethyl-1-(trifluoromethyl)cyclopentane (PubChem CID 58107263) has the molecular formula C18H31F5O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is 1-(4,4-difluoro-2-propan-2-yloxypentoxy)-3,4-diethyl-1-(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Name1-(4,4-difluoro-2-propan-2-yloxypentoxy)-3,4-diethyl-1-(trifluoromethyl)cyclopentane
PubChem CID58107263
Molecular FormulaC18H31F5O2
Molecular Weight374.43 g/mol
Exact Mass374.22
IUPAC Name1-(4,4-difluoro-2-propan-2-yloxypentoxy)-3,4-diethyl-1-(trifluoromethyl)cyclopentane
SMILESCCC1CC(OCC(CC(C)(F)F)OC(C)C)(C(F)(F)F)CC1CC
InChIInChI=1S/C18H31F5O2/c1-6-13-8-17(18(21,22)23,9-14(13)7-2)24-11-15(25-12(3)4)10-16(5,19)20/h12-15H,6-11H2,1-5H3
InChIKeyMGYWTFLXUILMFQ-UHFFFAOYSA-N
XLogP5.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.43
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4,4-difluoro-2-propan-2-yloxypentoxy)-3,4-diethyl-1-(trifluoromethyl)cyclopentane 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

3-(1,1-Difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-octoxy-1-(trifluoromethyl)cyclopentane
CID 20781748
3-(1,1-Difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(3-fluoro-2-propan-2-yloxypropoxy)-1-(trifluoromethyl)cyclopentane
CID 57890860
3-(1,1-Difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(3,4,5,5,5-pentafluoro-2-propan-2-yloxypentoxy)-1-(trifluoromethyl)cyclopentane
CID 58621616
3-(1,1-Difluoroethyl)-4-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane
CID 59130092
3-(1,1-Difluoroethyl)-1-(difluoromethyl)-4-ethyl-2,2,4-trifluoro-1-(2-methoxyethoxymethoxy)cyclopentane
CID 59172704
3-(1,1-Difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane
CID 59257512
3-(1,1-Difluoroethyl)-4-ethyl-2,2-difluoro-1-(2-methoxyethoxymethoxy)-1-(trifluoromethyl)cyclopentane
CID 91026490

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoro-2-propan-2-yloxypentoxy)-3,4-diethyl-1-(trifluoromethyl)cyclopentane?
The IUPAC name of 1-(4,4-difluoro-2-propan-2-yloxypentoxy)-3,4-diethyl-1-(trifluoromethyl)cyclopentane (CID 58107263) is 1-(4,4-difluoro-2-propan-2-yloxypentoxy)-3,4-diethyl-1-(trifluoromethyl)cyclopentane.
What is the SMILES notation for 1-(4,4-difluoro-2-propan-2-yloxypentoxy)-3,4-diethyl-1-(trifluoromethyl)cyclopentane?
The canonical SMILES for 1-(4,4-difluoro-2-propan-2-yloxypentoxy)-3,4-diethyl-1-(trifluoromethyl)cyclopentane is CCC1CC(OCC(CC(C)(F)F)OC(C)C)(C(F)(F)F)CC1CC.
What is the InChIKey of 1-(4,4-difluoro-2-propan-2-yloxypentoxy)-3,4-diethyl-1-(trifluoromethyl)cyclopentane?
The InChIKey is MGYWTFLXUILMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31F5O2/c1-6-13-8-17(18(21,22)23,9-14(13)7-2)24-11-15(25-12(3)4)10-16(5,19)20/h12-15H,6-11H2,1-5H3.
What are the key properties of 1-(4,4-difluoro-2-propan-2-yloxypentoxy)-3,4-diethyl-1-(trifluoromethyl)cyclopentane?
1-(4,4-difluoro-2-propan-2-yloxypentoxy)-3,4-diethyl-1-(trifluoromethyl)cyclopentane has a molecular weight of 374.43 g/mol, XLogP of 5.99, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoro-2-propan-2-yloxypentoxy)-3,4-diethyl-1-(trifluoromethyl)cyclopentane is sourced from PubChem (CID 58107263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).