1-(4,4,4-trifluorobutoxy)heptane

C11H21F3O — CID 54323453

IUPAC1-(4,4,4-trifluorobutoxy)heptane
SMILESCCCCCCCOCCCC(F)(F)F
InChIInChI=1S/C11H21F3O/c1-2-3-4-5-6-9-15-10-7-8-11(12,13)14/h2-10H2,1H3
InChIKeyYLHBARIXCFFYPN-UHFFFAOYSA-N
MW226.28 g/mol
LogP4.32
Rot. Bonds9

About 1-(4,4,4-trifluorobutoxy)heptane

1-(4,4,4-trifluorobutoxy)heptane (PubChem CID 54323453) has the molecular formula C11H21F3O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutoxy)heptane.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutoxy)heptane
PubChem CID54323453
Molecular FormulaC11H21F3O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC Name1-(4,4,4-trifluorobutoxy)heptane
SMILESCCCCCCCOCCCC(F)(F)F
InChIInChI=1S/C11H21F3O/c1-2-3-4-5-6-9-15-10-7-8-11(12,13)14/h2-10H2,1H3
InChIKeyYLHBARIXCFFYPN-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4,4,4-trifluorobutoxy)heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butoxy-5-(3,3,3-trifluoropropoxy)pentane
CID 59366555
1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane
CID 22483429
N-propyl-5-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 82792890
1,1,1-trifluorohexadecane
CID 15685316
1-dodecoxyhexadecane
CID 22256973
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutoxy)heptane?
The IUPAC name of 1-(4,4,4-trifluorobutoxy)heptane (CID 54323453) is 1-(4,4,4-trifluorobutoxy)heptane.
What is the SMILES notation for 1-(4,4,4-trifluorobutoxy)heptane?
The canonical SMILES for 1-(4,4,4-trifluorobutoxy)heptane is CCCCCCCOCCCC(F)(F)F.
What is the InChIKey of 1-(4,4,4-trifluorobutoxy)heptane?
The InChIKey is YLHBARIXCFFYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O/c1-2-3-4-5-6-9-15-10-7-8-11(12,13)14/h2-10H2,1H3.
What are the key properties of 1-(4,4,4-trifluorobutoxy)heptane?
1-(4,4,4-trifluorobutoxy)heptane has a molecular weight of 226.28 g/mol, XLogP of 4.32, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutoxy)heptane is sourced from PubChem (CID 54323453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).