2-fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane

C8H14F4O — CID 10798148

IUPAC2-fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane
SMILESCCCC(C)(F)COCC(F)(F)F
InChIInChI=1S/C8H14F4O/c1-3-4-7(2,9)5-13-6-8(10,11)12/h3-6H2,1-2H3
InChIKeyFWYCBGIABHNWOT-UHFFFAOYSA-N
MW202.19 g/mol
LogP3.09
Rot. Bonds5

About 2-fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane

2-fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane (PubChem CID 10798148) has the molecular formula C8H14F4O and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane.

Molecular Properties

Compound Name2-fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane
PubChem CID10798148
Molecular FormulaC8H14F4O
Molecular Weight202.19 g/mol
Exact Mass202.10
IUPAC Name2-fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane
SMILESCCCC(C)(F)COCC(F)(F)F
InChIInChI=1S/C8H14F4O/c1-3-4-7(2,9)5-13-6-8(10,11)12/h3-6H2,1-2H3
InChIKeyFWYCBGIABHNWOT-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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

2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106975
2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 55106871
4,4-bis(bromomethyl)-1-(2,2,2-trifluoroethoxy)heptane
CID 79455454
2-methyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
CID 106705978
2-fluoro-2-methylpentan-1-amine
CID 84716027
ethane;1-(2,2,2-trifluoroethoxy)butane
CID 170752039
2,2-diethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62724244
2,2-difluoro-1-[2-(2,2,2-trifluoroethoxy)ethoxy]propane
CID 175613997
1-chloro-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentane
CID 66059966
1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethane
CID 87282326
1-(2,2-difluoropropoxy)-2,2-difluoropropane
CID 142789331
4-(2,2,2-trifluoroethoxymethyl)heptane
CID 139669708

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane?
The IUPAC name of 2-fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane (CID 10798148) is 2-fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane.
What is the SMILES notation for 2-fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane?
The canonical SMILES for 2-fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane is CCCC(C)(F)COCC(F)(F)F.
What is the InChIKey of 2-fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane?
The InChIKey is FWYCBGIABHNWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4O/c1-3-4-7(2,9)5-13-6-8(10,11)12/h3-6H2,1-2H3.
What are the key properties of 2-fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane?
2-fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane has a molecular weight of 202.19 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-1-(2,2,2-trifluoroethoxy)pentane is sourced from PubChem (CID 10798148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).