4-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-ol

C10H18F4O2 — CID 103474135

IUPAC4-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-ol
SMILESCCC(C)CC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C10H18F4O2/c1-3-7(2)4-8(15)5-16-6-10(13,14)9(11)12/h7-9,15H,3-6H2,1-2H3
InChIKeyVTJOQJVVJCPMAQ-UHFFFAOYSA-N
MW246.24 g/mol
LogP2.70
Rot. Bonds8

About 4-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-ol

4-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-ol (PubChem CID 103474135) has the molecular formula C10H18F4O2 and a molecular weight of 246.24 g/mol. Its IUPAC name is 4-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-ol.

Molecular Properties

Compound Name4-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-ol
PubChem CID103474135
Molecular FormulaC10H18F4O2
Molecular Weight246.24 g/mol
Exact Mass246.12
IUPAC Name4-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-ol
SMILESCCC(C)CC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C10H18F4O2/c1-3-7(2)4-8(15)5-16-6-10(13,14)9(11)12/h7-9,15H,3-6H2,1-2H3
InChIKeyVTJOQJVVJCPMAQ-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yloxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473992
1-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-methylamino]ethyl-methylamino]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 118376151
(2R)-1-[4-[(2R)-butan-2-yl]phenoxy]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 93492444
1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473987
1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475048
1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-ol
CID 103474003
4-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine
CID 103475213
1-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474045
5,5,6,6-tetrafluorohexan-3-ol
CID 131228831
tert-butyl acetate;4-methyl-1-propoxyhexan-2-ol
CID 144890776
2-ethoxy-3-(2,2,3,3-tetrafluoropropoxy)propanoic acid
CID 63073619
1-[2,2-bis(2-hydroxybutoxymethyl)butoxy]butan-2-ol
CID 118403092

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-ol?
The IUPAC name of 4-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-ol (CID 103474135) is 4-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-ol.
What is the SMILES notation for 4-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-ol?
The canonical SMILES for 4-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-ol is CCC(C)CC(O)COCC(F)(F)C(F)F.
What is the InChIKey of 4-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-ol?
The InChIKey is VTJOQJVVJCPMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F4O2/c1-3-7(2)4-8(15)5-16-6-10(13,14)9(11)12/h7-9,15H,3-6H2,1-2H3.
What are the key properties of 4-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-ol?
4-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-ol has a molecular weight of 246.24 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-ol is sourced from PubChem (CID 103474135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).