6-(2,5-difluorophenoxy)hexan-3-ol

C12H16F2O2 — CID 106802707

IUPAC6-(2,5-difluorophenoxy)hexan-3-ol
SMILESCCC(O)CCCOc1cc(F)ccc1F
InChIInChI=1S/C12H16F2O2/c1-2-10(15)4-3-7-16-12-8-9(13)5-6-11(12)14/h5-6,8,10,15H,2-4,7H2,1H3
InChIKeyDUPYHGAOQMDGHJ-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.89
Rot. Bonds6

About 6-(2,5-difluorophenoxy)hexan-3-ol

6-(2,5-difluorophenoxy)hexan-3-ol (PubChem CID 106802707) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 6-(2,5-difluorophenoxy)hexan-3-ol.

Molecular Properties

Compound Name6-(2,5-difluorophenoxy)hexan-3-ol
PubChem CID106802707
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name6-(2,5-difluorophenoxy)hexan-3-ol
SMILESCCC(O)CCCOc1cc(F)ccc1F
InChIInChI=1S/C12H16F2O2/c1-2-10(15)4-3-7-16-12-8-9(13)5-6-11(12)14/h5-6,8,10,15H,2-4,7H2,1H3
InChIKeyDUPYHGAOQMDGHJ-UHFFFAOYSA-N
XLogP2.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine
CID 55169271
1,4-difluoro-2-hexoxybenzene
CID 23437312
6-(3-fluorophenoxy)hexan-3-ol
CID 106802653
6-(2,5-difluorophenoxy)hexan-1-ol
CID 103867914
1-(2,5-difluorophenoxy)propan-1-amine;hydrochloride
CID 141001836
methyl 2-amino-4-(2,5-difluorophenoxy)butanoate
CID 63273139
1-amino-3-(2,5-difluorophenoxy)propan-2-ol
CID 63269333
6-(2,4-difluorophenoxy)hexan-3-amine
CID 106800648
4-(2,5-difluorophenoxy)-2-(ethylamino)butanamide
CID 63269722
5-(2,5-difluorophenoxy)-N-methylpentan-1-amine
CID 63273148
(1S)-1-(4-fluoro-3-propoxyphenyl)ethanol
CID 97294393
4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol
CID 64809311

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluorophenoxy)hexan-3-ol?
The IUPAC name of 6-(2,5-difluorophenoxy)hexan-3-ol (CID 106802707) is 6-(2,5-difluorophenoxy)hexan-3-ol.
What is the SMILES notation for 6-(2,5-difluorophenoxy)hexan-3-ol?
The canonical SMILES for 6-(2,5-difluorophenoxy)hexan-3-ol is CCC(O)CCCOc1cc(F)ccc1F.
What is the InChIKey of 6-(2,5-difluorophenoxy)hexan-3-ol?
The InChIKey is DUPYHGAOQMDGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c1-2-10(15)4-3-7-16-12-8-9(13)5-6-11(12)14/h5-6,8,10,15H,2-4,7H2,1H3.
What are the key properties of 6-(2,5-difluorophenoxy)hexan-3-ol?
6-(2,5-difluorophenoxy)hexan-3-ol has a molecular weight of 230.25 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-difluorophenoxy)hexan-3-ol is sourced from PubChem (CID 106802707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).