1,1,1-trifluoro-2-(fluoromethyl)-3-methyl-3-(3,3,3-trifluoropropoxy)pentane

C10H15F7O — CID 123625651

IUPAC1,1,1-trifluoro-2-(fluoromethyl)-3-methyl-3-(3,3,3-trifluoropropoxy)pentane
SMILESCCC(C)(OCCC(F)(F)F)C(CF)C(F)(F)F
InChIInChI=1S/C10H15F7O/c1-3-8(2,7(6-11)10(15,16)17)18-5-4-9(12,13)14/h7H,3-6H2,1-2H3
InChIKeyKJQZZPKVOCOOTQ-UHFFFAOYSA-N
MW284.22 g/mol
LogP4.27
Rot. Bonds6

About 1,1,1-trifluoro-2-(fluoromethyl)-3-methyl-3-(3,3,3-trifluoropropoxy)pentane

1,1,1-trifluoro-2-(fluoromethyl)-3-methyl-3-(3,3,3-trifluoropropoxy)pentane (PubChem CID 123625651) has the molecular formula C10H15F7O and a molecular weight of 284.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(fluoromethyl)-3-methyl-3-(3,3,3-trifluoropropoxy)pentane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(fluoromethyl)-3-methyl-3-(3,3,3-trifluoropropoxy)pentane
PubChem CID123625651
Molecular FormulaC10H15F7O
Molecular Weight284.22 g/mol
Exact Mass284.10
IUPAC Name1,1,1-trifluoro-2-(fluoromethyl)-3-methyl-3-(3,3,3-trifluoropropoxy)pentane
SMILESCCC(C)(OCCC(F)(F)F)C(CF)C(F)(F)F
InChIInChI=1S/C10H15F7O/c1-3-8(2,7(6-11)10(15,16)17)18-5-4-9(12,13)14/h7H,3-6H2,1-2H3
InChIKeyKJQZZPKVOCOOTQ-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,3-trifluoropropyl 2-ethyl-2,3,3-trimethylbutanoate
CID 146204225
[4,4,4-trifluoro-3-(trifluoromethyl)butyl] 2,2-dimethylbutanoate
CID 89179373
[1-oxo-1-(3,3,3-trifluoropropoxy)propan-2-yl] 2,2-dimethylbutanoate
CID 88573939
2-fluoropropane;methoxymethane;propane;1,1,1-trifluoroethane
CID 165044243
[2-[3,3-dimethyl-4-(trifluoromethyl)hexoxy]-2-methylpropyl]sulfanylmethanamine
CID 129095948
2-fluoroethyl hypofluorite;methyl hypofluorite;1,1,1-trifluorobutane
CID 91023301
N-ethyl-2-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958415
1,1,1,2-tetrakis(3,3,3-trifluoropropoxy)decane
CID 150127920
2,2-dimethylbutane;2,2-dimethylpropane;1,1,1-trifluoro-4,4-dimethylpentane
CID 158100302
3-butoxy-3-methylpentan-2-ol
CID 175045885
1,1,1-trifluoro-4-methoxytridecane
CID 150822235
3-methoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]pentane
CID 123257231

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(fluoromethyl)-3-methyl-3-(3,3,3-trifluoropropoxy)pentane?
The IUPAC name of 1,1,1-trifluoro-2-(fluoromethyl)-3-methyl-3-(3,3,3-trifluoropropoxy)pentane (CID 123625651) is 1,1,1-trifluoro-2-(fluoromethyl)-3-methyl-3-(3,3,3-trifluoropropoxy)pentane.
What is the SMILES notation for 1,1,1-trifluoro-2-(fluoromethyl)-3-methyl-3-(3,3,3-trifluoropropoxy)pentane?
The canonical SMILES for 1,1,1-trifluoro-2-(fluoromethyl)-3-methyl-3-(3,3,3-trifluoropropoxy)pentane is CCC(C)(OCCC(F)(F)F)C(CF)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(fluoromethyl)-3-methyl-3-(3,3,3-trifluoropropoxy)pentane?
The InChIKey is KJQZZPKVOCOOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F7O/c1-3-8(2,7(6-11)10(15,16)17)18-5-4-9(12,13)14/h7H,3-6H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(fluoromethyl)-3-methyl-3-(3,3,3-trifluoropropoxy)pentane?
1,1,1-trifluoro-2-(fluoromethyl)-3-methyl-3-(3,3,3-trifluoropropoxy)pentane has a molecular weight of 284.22 g/mol, XLogP of 4.27, 6 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-(fluoromethyl)-3-methyl-3-(3,3,3-trifluoropropoxy)pentane is sourced from PubChem (CID 123625651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).