1-(2,4-difluorophenyl)nonan-2-ol

C15H22F2O — CID 63902016

IUPAC1-(2,4-difluorophenyl)nonan-2-ol
SMILESCCCCCCCC(O)Cc1ccc(F)cc1F
InChIInChI=1S/C15H22F2O/c1-2-3-4-5-6-7-14(18)10-12-8-9-13(16)11-15(12)17/h8-9,11,14,18H,2-7,10H2,1H3
InChIKeyZNLLVUNOFXKINJ-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.23
Rot. Bonds8

About 1-(2,4-difluorophenyl)nonan-2-ol

1-(2,4-difluorophenyl)nonan-2-ol (PubChem CID 63902016) has the molecular formula C15H22F2O and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)nonan-2-ol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)nonan-2-ol
PubChem CID63902016
Molecular FormulaC15H22F2O
Molecular Weight256.34 g/mol
Exact Mass256.16
IUPAC Name1-(2,4-difluorophenyl)nonan-2-ol
SMILESCCCCCCCC(O)Cc1ccc(F)cc1F
InChIInChI=1S/C15H22F2O/c1-2-3-4-5-6-7-14(18)10-12-8-9-13(16)11-15(12)17/h8-9,11,14,18H,2-7,10H2,1H3
InChIKeyZNLLVUNOFXKINJ-UHFFFAOYSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-(2-bromo-5-fluorophenyl)nonan-2-ol
CID 65149021
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
1-(2-fluorophenyl)octan-2-ol
CID 62606363
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CID 64560625
1-(2,4-difluorophenyl)hept-6-en-2-ol
CID 64561193
1-(2,3-difluorophenyl)dodecan-2-ol
CID 115789113
1-(2-ethylhexyl)-2,4-difluorobenzene;titanium
CID 174433926
2,4-difluoro-1-pentylbenzene
CID 20770613
(2S)-1-(2-chloro-4-fluorophenyl)pentan-2-ol
CID 94505356

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)nonan-2-ol?
The IUPAC name of 1-(2,4-difluorophenyl)nonan-2-ol (CID 63902016) is 1-(2,4-difluorophenyl)nonan-2-ol.
What is the SMILES notation for 1-(2,4-difluorophenyl)nonan-2-ol?
The canonical SMILES for 1-(2,4-difluorophenyl)nonan-2-ol is CCCCCCCC(O)Cc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)nonan-2-ol?
The InChIKey is ZNLLVUNOFXKINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2O/c1-2-3-4-5-6-7-14(18)10-12-8-9-13(16)11-15(12)17/h8-9,11,14,18H,2-7,10H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)nonan-2-ol?
1-(2,4-difluorophenyl)nonan-2-ol has a molecular weight of 256.34 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)nonan-2-ol is sourced from PubChem (CID 63902016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).