1,2,2,3,3,4,4,5,5,6,6,7-dodecafluoroheptan-1-ol

C7H4F12O — CID 23150346

IUPAC1,2,2,3,3,4,4,5,5,6,6,7-dodecafluoroheptan-1-ol
SMILESOC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C7H4F12O/c8-1-3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(9)20/h2,20H,1H2
InChIKeyXTXPJPILJVPUGS-UHFFFAOYSA-N
MW332.08 g/mol
LogP3.42
Rot. Bonds6

About 1,2,2,3,3,4,4,5,5,6,6,7-dodecafluoroheptan-1-ol

1,2,2,3,3,4,4,5,5,6,6,7-dodecafluoroheptan-1-ol (PubChem CID 23150346) has the molecular formula C7H4F12O and a molecular weight of 332.08 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6,7-dodecafluoroheptan-1-ol.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6,6,7-dodecafluoroheptan-1-ol
PubChem CID23150346
Molecular FormulaC7H4F12O
Molecular Weight332.08 g/mol
Exact Mass332.01
IUPAC Name1,2,2,3,3,4,4,5,5,6,6,7-dodecafluoroheptan-1-ol
SMILESOC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C7H4F12O/c8-1-3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(9)20/h2,20H,1H2
InChIKeyXTXPJPILJVPUGS-UHFFFAOYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.08
LogP ≤ 53.42
H-Bond Donors ≤ 51
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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1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16-hentriacontafluorohexadecane-1,16-diol
CID 22025717
1,2,2,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-3,7-bis(trifluoromethyl)octan-1-ol
CID 87915651
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol
CID 2776291
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CID 139989478
bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)-trihydroxy-λ5-phosphane
CID 87827924
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-iodononane
CID 10816307
1,1,2,2,3,3,4,4,5,5,7,7-dodecafluorooctane
CID 163290381
2,3-difluoro-3-(1,1,2,2,3,3,4,4,5,5,6-undecafluorohexyl)oxiran-2-ol
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3,3,4,4,5,5,6,6,7,7,8-undecafluorodecane-1,10-diol
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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5,6,6,7-dodecafluoroheptan-1-ol?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6,7-dodecafluoroheptan-1-ol (CID 23150346) is 1,2,2,3,3,4,4,5,5,6,6,7-dodecafluoroheptan-1-ol.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6,7-dodecafluoroheptan-1-ol?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6,7-dodecafluoroheptan-1-ol is OC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CF.
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6,6,7-dodecafluoroheptan-1-ol?
The InChIKey is XTXPJPILJVPUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F12O/c8-1-3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(9)20/h2,20H,1H2.
What are the key properties of 1,2,2,3,3,4,4,5,5,6,6,7-dodecafluoroheptan-1-ol?
1,2,2,3,3,4,4,5,5,6,6,7-dodecafluoroheptan-1-ol has a molecular weight of 332.08 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6,6,7-dodecafluoroheptan-1-ol is sourced from PubChem (CID 23150346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).