1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-propan-2-yloxyheptane

C10H10F12O — CID 19761977

IUPAC1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-propan-2-yloxyheptane
SMILESCC(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H10F12O/c1-4(2)23-3-6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)5(11)12/h4-5H,3H2,1-2H3
InChIKeyKGQPONMZUIUKNK-UHFFFAOYSA-N
MW374.17 g/mol
LogP4.85
Rot. Bonds8

About 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-propan-2-yloxyheptane

1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-propan-2-yloxyheptane (PubChem CID 19761977) has the molecular formula C10H10F12O and a molecular weight of 374.17 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-propan-2-yloxyheptane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-propan-2-yloxyheptane
PubChem CID19761977
Molecular FormulaC10H10F12O
Molecular Weight374.17 g/mol
Exact Mass374.05
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-propan-2-yloxyheptane
SMILESCC(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H10F12O/c1-4(2)23-3-6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)5(11)12/h4-5H,3H2,1-2H3
InChIKeyKGQPONMZUIUKNK-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.17
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-propan-2-yloxyheptane 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

Ethyl perfluorooctyl ether
CID 87277037
Tetrahydro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)furan
CID 134921
1,1,1,2,2,3,3,4,4-Nonafluoro-6-propoxyhexane
CID 44480565
1,1,1,2,2,3,3,4,4-Nonafluoro-6-(pentyloxy)hexane
CID 44480566
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-propoxyoctane
CID 44480567
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-(pentyloxy)octane
CID 44480568
Ether, octyl 1,1,2,2-tetrafluoroethyl
CID 35451
Ethyl perfluoroheptyl ether
CID 9909702
Bis(1-(perfluorobutyl)ethyl) ether
CID 21954135
6-Ethoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane
CID 54330931
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-methoxy-heptane
CID 21057573
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-propoxyheptane
CID 15006624

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-propan-2-yloxyheptane?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-propan-2-yloxyheptane (CID 19761977) is 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-propan-2-yloxyheptane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-propan-2-yloxyheptane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-propan-2-yloxyheptane is CC(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-propan-2-yloxyheptane?
The InChIKey is KGQPONMZUIUKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F12O/c1-4(2)23-3-6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)5(11)12/h4-5H,3H2,1-2H3.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-propan-2-yloxyheptane?
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-propan-2-yloxyheptane has a molecular weight of 374.17 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-7-propan-2-yloxyheptane is sourced from PubChem (CID 19761977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).