1-(2,5-difluorophenyl)octan-2-ol

C14H20F2O — CID 63901614

IUPAC1-(2,5-difluorophenyl)octan-2-ol
SMILESCCCCCCC(O)Cc1cc(F)ccc1F
InChIInChI=1S/C14H20F2O/c1-2-3-4-5-6-13(17)10-11-9-12(15)7-8-14(11)16/h7-9,13,17H,2-6,10H2,1H3
InChIKeyHNCSZVDPQMDMFQ-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.84
Rot. Bonds7

About 1-(2,5-difluorophenyl)octan-2-ol

1-(2,5-difluorophenyl)octan-2-ol (PubChem CID 63901614) has the molecular formula C14H20F2O and a molecular weight of 242.31 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)octan-2-ol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)octan-2-ol
PubChem CID63901614
Molecular FormulaC14H20F2O
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name1-(2,5-difluorophenyl)octan-2-ol
SMILESCCCCCCC(O)Cc1cc(F)ccc1F
InChIInChI=1S/C14H20F2O/c1-2-3-4-5-6-13(17)10-11-9-12(15)7-8-14(11)16/h7-9,13,17H,2-6,10H2,1H3
InChIKeyHNCSZVDPQMDMFQ-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.84
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

1-(2,4-difluorophenyl)decan-2-ol
CID 64559073
1-(2,4-difluorophenyl)nonan-2-ol
CID 63902016
1-(2-bromo-5-fluorophenyl)nonan-2-ol
CID 65149021
1-(2-chloro-4-fluorophenyl)dodecan-2-ol
CID 63410954
1-(2-fluorophenyl)octan-2-ol
CID 62606363
1-(2,5-difluorophenyl)-N-methylundecan-2-amine
CID 115810021
2-ethyl-1,4-difluorobenzene;octane
CID 144692824
1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-ol
CID 79954433
1-(2,3-difluorophenyl)dodecan-2-ol
CID 115789113
1-(2,5-difluorophenyl)-3-methylhexan-2-ol
CID 63901618
1-butan-2-ylsulfanyl-3-(2,5-difluorophenyl)propan-2-ol
CID 65136744
1-(3-chloro-2-fluorophenyl)nonan-2-ol
CID 82803298

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)octan-2-ol?
The IUPAC name of 1-(2,5-difluorophenyl)octan-2-ol (CID 63901614) is 1-(2,5-difluorophenyl)octan-2-ol.
What is the SMILES notation for 1-(2,5-difluorophenyl)octan-2-ol?
The canonical SMILES for 1-(2,5-difluorophenyl)octan-2-ol is CCCCCCC(O)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)octan-2-ol?
The InChIKey is HNCSZVDPQMDMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2O/c1-2-3-4-5-6-13(17)10-11-9-12(15)7-8-14(11)16/h7-9,13,17H,2-6,10H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)octan-2-ol?
1-(2,5-difluorophenyl)octan-2-ol has a molecular weight of 242.31 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)octan-2-ol is sourced from PubChem (CID 63901614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).