ethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane

C9H19F3O — CID 153342663

IUPACethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane
SMILESCC.CC(C)CCOCC(F)(F)F
InChIInChI=1S/C7H13F3O.C2H6/c1-6(2)3-4-11-5-7(8,9)10;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyGFWBSZVLICZXQV-UHFFFAOYSA-N
MW200.24 g/mol
LogP3.64
Rot. Bonds4

About ethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane

ethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane (PubChem CID 153342663) has the molecular formula C9H19F3O and a molecular weight of 200.24 g/mol. Its IUPAC name is ethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane.

Molecular Properties

Compound Nameethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane
PubChem CID153342663
Molecular FormulaC9H19F3O
Molecular Weight200.24 g/mol
Exact Mass200.14
IUPAC Nameethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane
SMILESCC.CC(C)CCOCC(F)(F)F
InChIInChI=1S/C7H13F3O.C2H6/c1-6(2)3-4-11-5-7(8,9)10;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyGFWBSZVLICZXQV-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]butane
CID 171600515
1-bromo-2-methyl-4-(2,2,2-trifluoroethoxy)butane
CID 66049605
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol
CID 115000197
3-ethyl-1-(2,2,2-trifluoroethoxy)pentane
CID 126543060
6-methyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 62599900
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethane
CID 87282326
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
CID 54962012
lithium 1,5-bis(2,2,2-trifluoroethoxy)pentan-3-olate
CID 175979999
2-methyl-1-(3-methylbutoxy)propan-2-amine
CID 64537569

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane?
The IUPAC name of ethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane (CID 153342663) is ethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane.
What is the SMILES notation for ethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane?
The canonical SMILES for ethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane is CC.CC(C)CCOCC(F)(F)F.
What is the InChIKey of ethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane?
The InChIKey is GFWBSZVLICZXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O.C2H6/c1-6(2)3-4-11-5-7(8,9)10;1-2/h6H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane?
ethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane has a molecular weight of 200.24 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-(2,2,2-trifluoroethoxy)butane is sourced from PubChem (CID 153342663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).