1,1,1-trifluoro-2-methoxy-4,4-dimethylpentane

C8H15F3O — CID 170375646

IUPAC1,1,1-trifluoro-2-methoxy-4,4-dimethylpentane
SMILESCOC(CC(C)(C)C)C(F)(F)F
InChIInChI=1S/C8H15F3O/c1-7(2,3)5-6(12-4)8(9,10)11/h6H,5H2,1-4H3
InChIKeyJWHUBPNZRDBFQW-UHFFFAOYSA-N
MW184.20 g/mol
LogP3.00
Rot. Bonds2

About 1,1,1-trifluoro-2-methoxy-4,4-dimethylpentane

1,1,1-trifluoro-2-methoxy-4,4-dimethylpentane (PubChem CID 170375646) has the molecular formula C8H15F3O and a molecular weight of 184.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methoxy-4,4-dimethylpentane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methoxy-4,4-dimethylpentane
PubChem CID170375646
Molecular FormulaC8H15F3O
Molecular Weight184.20 g/mol
Exact Mass184.11
IUPAC Name1,1,1-trifluoro-2-methoxy-4,4-dimethylpentane
SMILESCOC(CC(C)(C)C)C(F)(F)F
InChIInChI=1S/C8H15F3O/c1-7(2,3)5-6(12-4)8(9,10)11/h6H,5H2,1-4H3
InChIKeyJWHUBPNZRDBFQW-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,1-trifluoro-2-methoxy-4,4-dimethylpentane 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-methoxy-2,2,5,5-tetramethylhexane
CID 12756025
1,4,4-trifluoro-3-methoxypentane
CID 54190148
2-[(2R)-5,5,5-trifluoro-2,4-dimethoxypentan-2-yl]thiophene
CID 162611922
3,3,3-trifluoro-2-methoxypropane-1-sulfonyl chloride
CID 105484134
(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-ol
CID 58361159
1,1,1-trifluoro-4,4-dimethylpentan-2-amine
CID 63898477
fluoromethyl hypofluorite;1,1,1,3-tetrafluoro-2-methoxypropane;trifluoromethyl hypofluorite;hydrofluoride
CID 90913560
1,2-dimethoxy-4,4-dimethylpentane
CID 59679444
1,1,1,2,4,5,5,5-octafluoro-3-methoxypentane
CID 54351271
3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 167283767
4,4-dimethyl-2-(trifluoromethyl)pentanal
CID 174539510
2-methoxy-4,4-dimethylpentanal
CID 58639918

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methoxy-4,4-dimethylpentane?
The IUPAC name of 1,1,1-trifluoro-2-methoxy-4,4-dimethylpentane (CID 170375646) is 1,1,1-trifluoro-2-methoxy-4,4-dimethylpentane.
What is the SMILES notation for 1,1,1-trifluoro-2-methoxy-4,4-dimethylpentane?
The canonical SMILES for 1,1,1-trifluoro-2-methoxy-4,4-dimethylpentane is COC(CC(C)(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-methoxy-4,4-dimethylpentane?
The InChIKey is JWHUBPNZRDBFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O/c1-7(2,3)5-6(12-4)8(9,10)11/h6H,5H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-2-methoxy-4,4-dimethylpentane?
1,1,1-trifluoro-2-methoxy-4,4-dimethylpentane has a molecular weight of 184.20 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-methoxy-4,4-dimethylpentane is sourced from PubChem (CID 170375646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).