2-fluoro-1-(2,2,2-trifluoroethoxy)hexane

C8H14F4O — CID 10703268

IUPAC2-fluoro-1-(2,2,2-trifluoroethoxy)hexane
SMILESCCCCC(F)COCC(F)(F)F
InChIInChI=1S/C8H14F4O/c1-2-3-4-7(9)5-13-6-8(10,11)12/h7H,2-6H2,1H3
InChIKeyOFRQJSRBSZHVOQ-UHFFFAOYSA-N
MW202.19 g/mol
LogP3.09
Rot. Bonds6

About 2-fluoro-1-(2,2,2-trifluoroethoxy)hexane

2-fluoro-1-(2,2,2-trifluoroethoxy)hexane (PubChem CID 10703268) has the molecular formula C8H14F4O and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-fluoro-1-(2,2,2-trifluoroethoxy)hexane.

Molecular Properties

Compound Name2-fluoro-1-(2,2,2-trifluoroethoxy)hexane
PubChem CID10703268
Molecular FormulaC8H14F4O
Molecular Weight202.19 g/mol
Exact Mass202.10
IUPAC Name2-fluoro-1-(2,2,2-trifluoroethoxy)hexane
SMILESCCCCC(F)COCC(F)(F)F
InChIInChI=1S/C8H14F4O/c1-2-3-4-7(9)5-13-6-8(10,11)12/h7H,2-6H2,1H3
InChIKeyOFRQJSRBSZHVOQ-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-1-(2-fluorooctoxy)octane
CID 56992281
1-(2,2,2-trifluoroethoxy)octan-2-amine
CID 103214891
N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 103214890
4-(2,2,2-trifluoroethoxymethyl)heptane
CID 139669708
5-fluorononane
CID 14113820
N-methyl-1-(2,2,2-trifluoroethoxy)undecan-2-amine
CID 103214874
1-(2,2,2-trifluoroethoxy)nonan-2-ylhydrazine
CID 103217351
ethane;1-(2,2,2-trifluoroethoxy)butane
CID 170752039
(3S)-1,3-difluoroheptane
CID 148515317
N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148516
N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine
CID 62199109
3-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-ol
CID 107893094

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(2,2,2-trifluoroethoxy)hexane?
The IUPAC name of 2-fluoro-1-(2,2,2-trifluoroethoxy)hexane (CID 10703268) is 2-fluoro-1-(2,2,2-trifluoroethoxy)hexane.
What is the SMILES notation for 2-fluoro-1-(2,2,2-trifluoroethoxy)hexane?
The canonical SMILES for 2-fluoro-1-(2,2,2-trifluoroethoxy)hexane is CCCCC(F)COCC(F)(F)F.
What is the InChIKey of 2-fluoro-1-(2,2,2-trifluoroethoxy)hexane?
The InChIKey is OFRQJSRBSZHVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4O/c1-2-3-4-7(9)5-13-6-8(10,11)12/h7H,2-6H2,1H3.
What are the key properties of 2-fluoro-1-(2,2,2-trifluoroethoxy)hexane?
2-fluoro-1-(2,2,2-trifluoroethoxy)hexane has a molecular weight of 202.19 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(2,2,2-trifluoroethoxy)hexane is sourced from PubChem (CID 10703268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).