1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane

C10H10F12O — CID 87689733

IUPAC1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane
SMILESCCCOC(C)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F12O/c1-3-4-23-5(2,11)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)22/h3-4H2,1-2H3
InChIKeyWSIWQSSJCCNCCF-UHFFFAOYSA-N
MW374.17 g/mol
LogP5.20
Rot. Bonds7

About 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane

1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane (PubChem CID 87689733) has the molecular formula C10H10F12O and a molecular weight of 374.17 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane
PubChem CID87689733
Molecular FormulaC10H10F12O
Molecular Weight374.17 g/mol
Exact Mass374.05
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane
SMILESCCCOC(C)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H10F12O/c1-3-4-23-5(2,11)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)22/h3-4H2,1-2H3
InChIKeyWSIWQSSJCCNCCF-UHFFFAOYSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.17
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1,1,2,2,3-pentafluoro-3-methyl-1-propoxybutane
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1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-8-propoxy-2-(trifluoromethyl)octane
CID 135287934
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptoxy)octane
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1-ethoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentacosafluorododecane
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2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
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CID 21433420
bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-dipropoxystannane
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2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane
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1-propoxy-2-(4,4,5,5,6,6,7,7,8,8,8-undecafluoro-2-methoxyoctan-2-yl)benzene
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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane (CID 87689733) is 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane is CCCOC(C)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane?
The InChIKey is WSIWQSSJCCNCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F12O/c1-3-4-23-5(2,11)6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)22/h3-4H2,1-2H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane?
1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane has a molecular weight of 374.17 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6-dodecafluoro-6-propoxyheptane is sourced from PubChem (CID 87689733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).