6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-1-phenyldodecan-4-ol

C18H15F15O — CID 162347931

IUPAC6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-1-phenyldodecan-4-ol
SMILESOC(CCCc1ccccc1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C18H15F15O/c19-12(20,9-11(34)8-4-7-10-5-2-1-3-6-10)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)33/h1-3,5-6,11,34H,4,7-9H2
InChIKeyMQGNJSOVYPFZFP-UHFFFAOYSA-N
MW532.29 g/mol
LogP7.13
Rot. Bonds11

About 6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-1-phenyldodecan-4-ol

6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-1-phenyldodecan-4-ol (PubChem CID 162347931) has the molecular formula C18H15F15O and a molecular weight of 532.29 g/mol. Its IUPAC name is 6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-1-phenyldodecan-4-ol.

Molecular Properties

Compound Name6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-1-phenyldodecan-4-ol
PubChem CID162347931
Molecular FormulaC18H15F15O
Molecular Weight532.29 g/mol
Exact Mass532.09
IUPAC Name6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-1-phenyldodecan-4-ol
SMILESOC(CCCc1ccccc1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C18H15F15O/c19-12(20,9-11(34)8-4-7-10-5-2-1-3-6-10)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)33/h1-3,5-6,11,34H,4,7-9H2
InChIKeyMQGNJSOVYPFZFP-UHFFFAOYSA-N
XLogP7.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.29
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-1-phenyldodecan-4-ol with MolForge

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Related Compounds

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CID 99649617
1,1,1-trifluoro-5-phenylpentan-3-ol
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(2R)-1-(benzylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol
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6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecylbenzene
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benzyl-bis(2-hydroxyethyl)-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoro-2-hydroxypentadecyl)azanium
CID 101142280
8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridecane-1,6-diol
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CID 164840740
(2R)-5-phenylpentane-1,2-diol
CID 102483629
(2R)-1-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]-5-phenylpentan-2-ol
CID 54014225
7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-henicosafluorohexadec-1-en-5-ol
CID 154477196
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-pentacosafluoroicos-1-en-7-ol
CID 88654871
1-chloro-7-phenylheptan-4-ol
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Frequently Asked Questions

What is the IUPAC name of 6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-1-phenyldodecan-4-ol?
The IUPAC name of 6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-1-phenyldodecan-4-ol (CID 162347931) is 6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-1-phenyldodecan-4-ol.
What is the SMILES notation for 6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-1-phenyldodecan-4-ol?
The canonical SMILES for 6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-1-phenyldodecan-4-ol is OC(CCCc1ccccc1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-1-phenyldodecan-4-ol?
The InChIKey is MQGNJSOVYPFZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F15O/c19-12(20,9-11(34)8-4-7-10-5-2-1-3-6-10)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)33/h1-3,5-6,11,34H,4,7-9H2.
What are the key properties of 6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-1-phenyldodecan-4-ol?
6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-1-phenyldodecan-4-ol has a molecular weight of 532.29 g/mol, XLogP of 7.13, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-1-phenyldodecan-4-ol is sourced from PubChem (CID 162347931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).