4-(2,2,2-trifluoroethoxymethyl)heptane

C10H19F3O — CID 139669708

IUPAC4-(2,2,2-trifluoroethoxymethyl)heptane
SMILESCCCC(CCC)COCC(F)(F)F
InChIInChI=1S/C10H19F3O/c1-3-5-9(6-4-2)7-14-8-10(11,12)13/h9H,3-8H2,1-2H3
InChIKeyBRBHXUJZMBXKCI-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.78
Rot. Bonds7

About 4-(2,2,2-trifluoroethoxymethyl)heptane

4-(2,2,2-trifluoroethoxymethyl)heptane (PubChem CID 139669708) has the molecular formula C10H19F3O and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxymethyl)heptane.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxymethyl)heptane
PubChem CID139669708
Molecular FormulaC10H19F3O
Molecular Weight212.25 g/mol
Exact Mass212.14
IUPAC Name4-(2,2,2-trifluoroethoxymethyl)heptane
SMILESCCCC(CCC)COCC(F)(F)F
InChIInChI=1S/C10H19F3O/c1-3-5-9(6-4-2)7-14-8-10(11,12)13/h9H,3-8H2,1-2H3
InChIKeyBRBHXUJZMBXKCI-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide
CID 65013118
2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
CID 106705854
3-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-ol
CID 107893094
2-fluoro-1-(2,2,2-trifluoroethoxy)hexane
CID 10703268
1-(2,2,2-trifluoroethoxy)octan-2-amine
CID 103214891
2-(2,2,2-trifluoroethoxymethyl)butane-1,4-diol
CID 146489799
N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 55083389
dichloro-[3-(2,2,2-trifluoroethoxy)-2-(2,2,2-trifluoroethoxymethyl)propoxy]phosphane
CID 166520984
3-ethyl-1-(2,2,2-trifluoroethoxy)pentane
CID 126543060
4-(2-propylheptoxymethyl)nonane
CID 56652319
N-propyl-1-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 103214890
N-methyl-1-(2,2,2-trifluoroethoxy)undecan-2-amine
CID 103214874

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)heptane?
The IUPAC name of 4-(2,2,2-trifluoroethoxymethyl)heptane (CID 139669708) is 4-(2,2,2-trifluoroethoxymethyl)heptane.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxymethyl)heptane?
The canonical SMILES for 4-(2,2,2-trifluoroethoxymethyl)heptane is CCCC(CCC)COCC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethoxymethyl)heptane?
The InChIKey is BRBHXUJZMBXKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O/c1-3-5-9(6-4-2)7-14-8-10(11,12)13/h9H,3-8H2,1-2H3.
What are the key properties of 4-(2,2,2-trifluoroethoxymethyl)heptane?
4-(2,2,2-trifluoroethoxymethyl)heptane has a molecular weight of 212.25 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxymethyl)heptane is sourced from PubChem (CID 139669708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).