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

C12H16F2O2 — CID 81269753

IUPAC6-(2,6-difluorophenoxy)hexan-2-ol
SMILESCC(O)CCCCOc1c(F)cccc1F
InChIInChI=1S/C12H16F2O2/c1-9(15)5-2-3-8-16-12-10(13)6-4-7-11(12)14/h4,6-7,9,15H,2-3,5,8H2,1H3
InChIKeyNIVBLYQYKTXWQY-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.89
Rot. Bonds6

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

6-(2,6-difluorophenoxy)hexan-2-ol (PubChem CID 81269753) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 6-(2,6-difluorophenoxy)hexan-2-ol.

Molecular Properties

Compound Name6-(2,6-difluorophenoxy)hexan-2-ol
PubChem CID81269753
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name6-(2,6-difluorophenoxy)hexan-2-ol
SMILESCC(O)CCCCOc1c(F)cccc1F
InChIInChI=1S/C12H16F2O2/c1-9(15)5-2-3-8-16-12-10(13)6-4-7-11(12)14/h4,6-7,9,15H,2-3,5,8H2,1H3
InChIKeyNIVBLYQYKTXWQY-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

4-(2,6-difluorophenoxy)butan-2-ol
CID 81269023
5-(2,3-difluorophenoxy)pentan-2-ol
CID 63036089
6-(2-fluoro-3-methylphenoxy)hexan-2-ol
CID 107660302
3-(2,6-difluorophenoxy)propan-1-ol
CID 112728266
6-(2,6-difluorophenoxy)hexan-1-amine
CID 68648906
2-(6-chlorohexoxy)-1,3-difluorobenzene
CID 81268506
[3-fluoro-2-(4-methylpentoxy)phenyl]methanol
CID 112613210
3-(2,6-difluorophenoxy)-N-methylpropan-1-amine
CID 81269290
6-(2,6-difluorophenoxy)hexanoic acid
CID 81269433
5-(2,6-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 81265073
1-(3-fluoro-2-octoxyphenyl)propan-2-amine
CID 115958573
N-[(3-fluoro-2-heptoxyphenyl)methyl]propan-2-amine
CID 115954986

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenoxy)hexan-2-ol?
The IUPAC name of 6-(2,6-difluorophenoxy)hexan-2-ol (CID 81269753) is 6-(2,6-difluorophenoxy)hexan-2-ol.
What is the SMILES notation for 6-(2,6-difluorophenoxy)hexan-2-ol?
The canonical SMILES for 6-(2,6-difluorophenoxy)hexan-2-ol is CC(O)CCCCOc1c(F)cccc1F.
What is the InChIKey of 6-(2,6-difluorophenoxy)hexan-2-ol?
The InChIKey is NIVBLYQYKTXWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c1-9(15)5-2-3-8-16-12-10(13)6-4-7-11(12)14/h4,6-7,9,15H,2-3,5,8H2,1H3.
What are the key properties of 6-(2,6-difluorophenoxy)hexan-2-ol?
6-(2,6-difluorophenoxy)hexan-2-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-(2,6-difluorophenoxy)hexan-2-ol is sourced from PubChem (CID 81269753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).