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

C8H17F3O — CID 170752039

IUPACethane;1-(2,2,2-trifluoroethoxy)butane
SMILESCC.CCCCOCC(F)(F)F
InChIInChI=1S/C6H11F3O.C2H6/c1-2-3-4-10-5-6(7,8)9;1-2/h2-5H2,1H3;1-2H3
InChIKeyGHZKMCFFUVDREQ-UHFFFAOYSA-N
MW186.22 g/mol
LogP3.39
Rot. Bonds4

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

ethane;1-(2,2,2-trifluoroethoxy)butane (PubChem CID 170752039) has the molecular formula C8H17F3O and a molecular weight of 186.22 g/mol. Its IUPAC name is ethane;1-(2,2,2-trifluoroethoxy)butane.

Molecular Properties

Compound Nameethane;1-(2,2,2-trifluoroethoxy)butane
PubChem CID170752039
Molecular FormulaC8H17F3O
Molecular Weight186.22 g/mol
Exact Mass186.12
IUPAC Nameethane;1-(2,2,2-trifluoroethoxy)butane
SMILESCC.CCCCOCC(F)(F)F
InChIInChI=1S/C6H11F3O.C2H6/c1-2-3-4-10-5-6(7,8)9;1-2/h2-5H2,1H3;1-2H3
InChIKeyGHZKMCFFUVDREQ-UHFFFAOYSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 53.39
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

1,3-bis(2,2,2-trifluoroethoxy)propane
CID 57255720
1-butoxy-5-(3,3,3-trifluoropropoxy)pentane
CID 59366555
4,4-bis(bromomethyl)-1-(2,2,2-trifluoroethoxy)heptane
CID 79455454
1-(3-butoxypropyl)-2-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 111238925
N-(2-bromoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 80673197
1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethane
CID 87282326
N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148516
1-butoxy-3,3-difluorobutane
CID 175614029
1-butoxy-4-(trifluoromethoxy)butane
CID 152923004
1-(2,2,2-trifluoroethoxy)heptan-4-one
CID 61490504
ethane;1-(2-propoxyethoxy)butane
CID 164535746
1-butoxybutane;methoxymethane
CID 18401298

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2,2,2-trifluoroethoxy)butane?
The IUPAC name of ethane;1-(2,2,2-trifluoroethoxy)butane (CID 170752039) is ethane;1-(2,2,2-trifluoroethoxy)butane.
What is the SMILES notation for ethane;1-(2,2,2-trifluoroethoxy)butane?
The canonical SMILES for ethane;1-(2,2,2-trifluoroethoxy)butane is CC.CCCCOCC(F)(F)F.
What is the InChIKey of ethane;1-(2,2,2-trifluoroethoxy)butane?
The InChIKey is GHZKMCFFUVDREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O.C2H6/c1-2-3-4-10-5-6(7,8)9;1-2/h2-5H2,1H3;1-2H3.
What are the key properties of ethane;1-(2,2,2-trifluoroethoxy)butane?
ethane;1-(2,2,2-trifluoroethoxy)butane has a molecular weight of 186.22 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2,2,2-trifluoroethoxy)butane is sourced from PubChem (CID 170752039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).