6-(2,5-difluorophenoxy)hexan-1-ol

C12H16F2O2 — CID 103867914

IUPAC6-(2,5-difluorophenoxy)hexan-1-ol
SMILESOCCCCCCOc1cc(F)ccc1F
InChIInChI=1S/C12H16F2O2/c13-10-5-6-11(14)12(9-10)16-8-4-2-1-3-7-15/h5-6,9,15H,1-4,7-8H2
InChIKeyKMLDJVQISKITNE-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.90
Rot. Bonds7

About 6-(2,5-difluorophenoxy)hexan-1-ol

6-(2,5-difluorophenoxy)hexan-1-ol (PubChem CID 103867914) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 6-(2,5-difluorophenoxy)hexan-1-ol.

Molecular Properties

Compound Name6-(2,5-difluorophenoxy)hexan-1-ol
PubChem CID103867914
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name6-(2,5-difluorophenoxy)hexan-1-ol
SMILESOCCCCCCOc1cc(F)ccc1F
InChIInChI=1S/C12H16F2O2/c13-10-5-6-11(14)12(9-10)16-8-4-2-1-3-7-15/h5-6,9,15H,1-4,7-8H2
InChIKeyKMLDJVQISKITNE-UHFFFAOYSA-N
XLogP2.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.90
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

6-(2-bromo-5-fluorophenoxy)hexan-1-ol
CID 103867953
1,4-difluoro-2-hexoxybenzene
CID 23437312
2-[2-(2,5-difluorophenoxy)ethoxy]ethanol
CID 63268776
4-(2-fluorophenoxy)butan-1-ol
CID 43509993
5-(2,5-difluorophenoxy)-N-methylpentan-1-amine
CID 63273148
5-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]pentan-1-ol
CID 78932245
4-(2-amino-4-fluorophenoxy)butan-1-ol
CID 62369836
5-fluoro-2-(5-hydroxypentoxy)benzoic acid
CID 115297887
15-[2-(15-hydroxypentadecoxy)phenoxy]pentadecan-1-ol
CID 139621951
5-(4-amino-2,5-difluorophenoxy)pentan-1-ol
CID 63597424
6-(2,5-difluorophenoxy)hexan-3-ol
CID 106802707
4-(4-amino-2,5-difluorophenoxy)butan-1-ol
CID 63599718

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-difluorophenoxy)hexan-1-ol?
The IUPAC name of 6-(2,5-difluorophenoxy)hexan-1-ol (CID 103867914) is 6-(2,5-difluorophenoxy)hexan-1-ol.
What is the SMILES notation for 6-(2,5-difluorophenoxy)hexan-1-ol?
The canonical SMILES for 6-(2,5-difluorophenoxy)hexan-1-ol is OCCCCCCOc1cc(F)ccc1F.
What is the InChIKey of 6-(2,5-difluorophenoxy)hexan-1-ol?
The InChIKey is KMLDJVQISKITNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c13-10-5-6-11(14)12(9-10)16-8-4-2-1-3-7-15/h5-6,9,15H,1-4,7-8H2.
What are the key properties of 6-(2,5-difluorophenoxy)hexan-1-ol?
6-(2,5-difluorophenoxy)hexan-1-ol has a molecular weight of 230.25 g/mol, XLogP of 2.90, 7 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-1-ol is sourced from PubChem (CID 103867914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).