1,1,1-trifluoro-2-methoxypentane;hydrofluoride

C6H12F4O — CID 91463480

IUPAC1,1,1-trifluoro-2-methoxypentane;hydrofluoride
SMILESCCCC(OC)C(F)(F)F.F
InChIInChI=1S/C6H11F3O.FH/c1-3-4-5(10-2)6(7,8)9;/h5H,3-4H2,1-2H3;1H
InChIKeyPBLBULAYLOYWCD-UHFFFAOYSA-N
MW176.15 g/mol
LogP2.52
Rot. Bonds3

About 1,1,1-trifluoro-2-methoxypentane;hydrofluoride

1,1,1-trifluoro-2-methoxypentane;hydrofluoride (PubChem CID 91463480) has the molecular formula C6H12F4O and a molecular weight of 176.15 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methoxypentane;hydrofluoride.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methoxypentane;hydrofluoride
PubChem CID91463480
Molecular FormulaC6H12F4O
Molecular Weight176.15 g/mol
Exact Mass176.08
IUPAC Name1,1,1-trifluoro-2-methoxypentane;hydrofluoride
SMILESCCCC(OC)C(F)(F)F.F
InChIInChI=1S/C6H11F3O.FH/c1-3-4-5(10-2)6(7,8)9;/h5H,3-4H2,1-2H3;1H
InChIKeyPBLBULAYLOYWCD-UHFFFAOYSA-N
XLogP2.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.15
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methoxypentane;hydrofluoride?
The IUPAC name of 1,1,1-trifluoro-2-methoxypentane;hydrofluoride (CID 91463480) is 1,1,1-trifluoro-2-methoxypentane;hydrofluoride.
What is the SMILES notation for 1,1,1-trifluoro-2-methoxypentane;hydrofluoride?
The canonical SMILES for 1,1,1-trifluoro-2-methoxypentane;hydrofluoride is CCCC(OC)C(F)(F)F.F.
What is the InChIKey of 1,1,1-trifluoro-2-methoxypentane;hydrofluoride?
The InChIKey is PBLBULAYLOYWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O.FH/c1-3-4-5(10-2)6(7,8)9;/h5H,3-4H2,1-2H3;1H.
What are the key properties of 1,1,1-trifluoro-2-methoxypentane;hydrofluoride?
1,1,1-trifluoro-2-methoxypentane;hydrofluoride has a molecular weight of 176.15 g/mol, XLogP of 2.52, 3 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-methoxypentane;hydrofluoride is sourced from PubChem (CID 91463480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).