1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-ol

C10H14F4O2 — CID 103474003

IUPAC1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-ol
SMILESC#CCCCC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C10H14F4O2/c1-2-3-4-5-8(15)6-16-7-10(13,14)9(11)12/h1,8-9,15H,3-7H2
InChIKeyLTDBJLWOHXHZDI-UHFFFAOYSA-N
MW242.21 g/mol
LogP2.07
Rot. Bonds8

About 1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-ol

1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-ol (PubChem CID 103474003) has the molecular formula C10H14F4O2 and a molecular weight of 242.21 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-ol.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-ol
PubChem CID103474003
Molecular FormulaC10H14F4O2
Molecular Weight242.21 g/mol
Exact Mass242.09
IUPAC Name1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-ol
SMILESC#CCCCC(O)COCC(F)(F)C(F)F
InChIInChI=1S/C10H14F4O2/c1-2-3-4-5-8(15)6-16-7-10(13,14)9(11)12/h1,8-9,15H,3-7H2
InChIKeyLTDBJLWOHXHZDI-UHFFFAOYSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', '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
4-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-ol
CID 103474135
1-(2,2,3,3-tetrafluoropropoxy)pent-4-yn-2-ylhydrazine
CID 103477640
1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473987
3-(2,2,3,4,4,4-hexafluorobutoxy)propane-1,2-diol
CID 112758141
1-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474045
1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine
CID 103475085
1,1,1-trifluorohept-6-yn-3-ol
CID 63657299
1-(2,2-difluoroethoxy)-3-(2,2-difluoro-2-hydroxyethoxy)propan-2-ol
CID 154623548
1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474191
1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475048

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-ol?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-ol (CID 103474003) is 1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-ol.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-ol?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-ol is C#CCCCC(O)COCC(F)(F)C(F)F.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-ol?
The InChIKey is LTDBJLWOHXHZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4O2/c1-2-3-4-5-8(15)6-16-7-10(13,14)9(11)12/h1,8-9,15H,3-7H2.
What are the key properties of 1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-ol?
1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-ol has a molecular weight of 242.21 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoropropoxy)hept-6-yn-2-ol is sourced from PubChem (CID 103474003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).