4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexan-1-one

C10H11F7O2 — CID 58562810

IUPAC4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexan-1-one
SMILESO=C1CCC(C(O)C(F)(F)C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C10H11F7O2/c11-8(12,9(13,14)10(15,16)17)7(19)5-1-3-6(18)4-2-5/h5,7,19H,1-4H2
InChIKeyHNZGEYVWDPBNHA-UHFFFAOYSA-N
MW296.18 g/mol
LogP2.94
Rot. Bonds3

About 4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexan-1-one

4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexan-1-one (PubChem CID 58562810) has the molecular formula C10H11F7O2 and a molecular weight of 296.18 g/mol. Its IUPAC name is 4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexan-1-one
PubChem CID58562810
Molecular FormulaC10H11F7O2
Molecular Weight296.18 g/mol
Exact Mass296.06
IUPAC Name4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexan-1-one
SMILESO=C1CCC(C(O)C(F)(F)C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C10H11F7O2/c11-8(12,9(13,14)10(15,16)17)7(19)5-1-3-6(18)4-2-5/h5,7,19H,1-4H2
InChIKeyHNZGEYVWDPBNHA-UHFFFAOYSA-N
XLogP2.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexan-1-one?
The IUPAC name of 4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexan-1-one (CID 58562810) is 4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexan-1-one.
What is the SMILES notation for 4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexan-1-one?
The canonical SMILES for 4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexan-1-one is O=C1CCC(C(O)C(F)(F)C(F)(F)C(F)(F)F)CC1.
What is the InChIKey of 4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexan-1-one?
The InChIKey is HNZGEYVWDPBNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F7O2/c11-8(12,9(13,14)10(15,16)17)7(19)5-1-3-6(18)4-2-5/h5,7,19H,1-4H2.
What are the key properties of 4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexan-1-one?
4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexan-1-one has a molecular weight of 296.18 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3,4,4,4-heptafluoro-1-hydroxybutyl)cyclohexan-1-one is sourced from PubChem (CID 58562810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).