3,3-difluoro-6-(2-hydroxypropan-2-yloxy)hexan-1-ol

C9H18F2O3 — CID 126593416

IUPAC3,3-difluoro-6-(2-hydroxypropan-2-yloxy)hexan-1-ol
SMILESCC(C)(O)OCCCC(F)(F)CCO
InChIInChI=1S/C9H18F2O3/c1-8(2,13)14-7-3-4-9(10,11)5-6-12/h12-13H,3-7H2,1-2H3
InChIKeyLXOZSVDNZRFYHD-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.53
Rot. Bonds7

About 3,3-difluoro-6-(2-hydroxypropan-2-yloxy)hexan-1-ol

3,3-difluoro-6-(2-hydroxypropan-2-yloxy)hexan-1-ol (PubChem CID 126593416) has the molecular formula C9H18F2O3 and a molecular weight of 212.24 g/mol. Its IUPAC name is 3,3-difluoro-6-(2-hydroxypropan-2-yloxy)hexan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-6-(2-hydroxypropan-2-yloxy)hexan-1-ol
PubChem CID126593416
Molecular FormulaC9H18F2O3
Molecular Weight212.24 g/mol
Exact Mass212.12
IUPAC Name3,3-difluoro-6-(2-hydroxypropan-2-yloxy)hexan-1-ol
SMILESCC(C)(O)OCCCC(F)(F)CCO
InChIInChI=1S/C9H18F2O3/c1-8(2,13)14-7-3-4-9(10,11)5-6-12/h12-13H,3-7H2,1-2H3
InChIKeyLXOZSVDNZRFYHD-UHFFFAOYSA-N
XLogP1.53
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

azane;2-dodecoxypropan-2-ol
CID 87960511
methyl 2-fluoro-5-(2-hydroxypropan-2-yloxy)pentanoate
CID 145304985
3,3,5,5-tetrafluoroheptane-1,7-diol
CID 158492459
3-[1,1-bis(3-hydroxypropoxy)ethoxy]propan-1-ol
CID 87545299
2-[(4R)-4-(2-hydroxypropan-2-yloxy)pentoxy]propan-2-ol
CID 142027895
3,3-difluoro-4,4-dimethylpentan-1-ol
CID 105429698
3,4,4,4-tetrafluoro-3-methylbutan-1-ol
CID 142168875
1-(2-hydroxyethoxy)ethane-1,1-diol
CID 173404401
3-butoxy-4-iodo-3-methylbutan-1-ol
CID 88929319
N-[2-methyl-5-[(2-methylpropan-2-yl)oxy]pentan-2-yl]cyclopropanamine
CID 167132075
6,6,6-trifluoro-2-(3-hydroxypropoxy)-2-methylhexanenitrile
CID 103376454
azane;6-(2-fluoropropan-2-yloxy)hexan-1-ol;sulfuric acid
CID 88778349

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-6-(2-hydroxypropan-2-yloxy)hexan-1-ol?
The IUPAC name of 3,3-difluoro-6-(2-hydroxypropan-2-yloxy)hexan-1-ol (CID 126593416) is 3,3-difluoro-6-(2-hydroxypropan-2-yloxy)hexan-1-ol.
What is the SMILES notation for 3,3-difluoro-6-(2-hydroxypropan-2-yloxy)hexan-1-ol?
The canonical SMILES for 3,3-difluoro-6-(2-hydroxypropan-2-yloxy)hexan-1-ol is CC(C)(O)OCCCC(F)(F)CCO.
What is the InChIKey of 3,3-difluoro-6-(2-hydroxypropan-2-yloxy)hexan-1-ol?
The InChIKey is LXOZSVDNZRFYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2O3/c1-8(2,13)14-7-3-4-9(10,11)5-6-12/h12-13H,3-7H2,1-2H3.
What are the key properties of 3,3-difluoro-6-(2-hydroxypropan-2-yloxy)hexan-1-ol?
3,3-difluoro-6-(2-hydroxypropan-2-yloxy)hexan-1-ol has a molecular weight of 212.24 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-6-(2-hydroxypropan-2-yloxy)hexan-1-ol is sourced from PubChem (CID 126593416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).