1,4,4-trifluoro-3-methoxypentane

C6H11F3O — CID 54190148

IUPAC1,4,4-trifluoro-3-methoxypentane
SMILESCOC(CCF)C(C)(F)F
InChIInChI=1S/C6H11F3O/c1-6(8,9)5(10-2)3-4-7/h5H,3-4H2,1-2H3
InChIKeyPHXYFANTUQISQH-UHFFFAOYSA-N
MW156.15 g/mol
LogP2.02
Rot. Bonds4

About 1,4,4-trifluoro-3-methoxypentane

1,4,4-trifluoro-3-methoxypentane (PubChem CID 54190148) has the molecular formula C6H11F3O and a molecular weight of 156.15 g/mol. Its IUPAC name is 1,4,4-trifluoro-3-methoxypentane.

Molecular Properties

Compound Name1,4,4-trifluoro-3-methoxypentane
PubChem CID54190148
Molecular FormulaC6H11F3O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name1,4,4-trifluoro-3-methoxypentane
SMILESCOC(CCF)C(C)(F)F
InChIInChI=1S/C6H11F3O/c1-6(8,9)5(10-2)3-4-7/h5H,3-4H2,1-2H3
InChIKeyPHXYFANTUQISQH-UHFFFAOYSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-2,5-dimethoxy-3,3,5-trimethylhexane
CID 90383711
1,1,1-trifluoro-2-methoxy-4,4-dimethylpentane
CID 170375646
3-ethoxy-1,1,2,2,5-pentafluoropentane
CID 54131006
1,3,3-trifluoro-2-(fluoromethyl)butane
CID 13207097
ethane;3-methoxy-2-methylhexan-2-ol
CID 171072389
3-(dimethoxymethyl)-2,2-difluoropentane
CID 173353796
fluoromethyl hypofluorite;1,1,1,3-tetrafluoro-2-methoxypropane;trifluoromethyl hypofluorite;hydrofluoride
CID 90913560
3-methoxy-2,2,5,5-tetramethylhexane
CID 12756025
1-(1,1-difluoroethoxy)-4-fluoro-2-(fluoromethyl)butane
CID 162589961
(4S)-4-methoxy-3,3-dimethylhexane
CID 88893621
1,1,1,4-tetrafluorobutan-2-yl hydrogen carbonate
CID 87246671
1,1,1-trifluoroethane;1,1,2-trifluoroethane
CID 157050419

Frequently Asked Questions

What is the IUPAC name of 1,4,4-trifluoro-3-methoxypentane?
The IUPAC name of 1,4,4-trifluoro-3-methoxypentane (CID 54190148) is 1,4,4-trifluoro-3-methoxypentane.
What is the SMILES notation for 1,4,4-trifluoro-3-methoxypentane?
The canonical SMILES for 1,4,4-trifluoro-3-methoxypentane is COC(CCF)C(C)(F)F.
What is the InChIKey of 1,4,4-trifluoro-3-methoxypentane?
The InChIKey is PHXYFANTUQISQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O/c1-6(8,9)5(10-2)3-4-7/h5H,3-4H2,1-2H3.
What are the key properties of 1,4,4-trifluoro-3-methoxypentane?
1,4,4-trifluoro-3-methoxypentane has a molecular weight of 156.15 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-trifluoro-3-methoxypentane is sourced from PubChem (CID 54190148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).