1-fluoro-2-(fluoromethyl)-3-methylpentan-2-ol

C7H14F2O — CID 89097736

IUPAC1-fluoro-2-(fluoromethyl)-3-methylpentan-2-ol
SMILESCCC(C)C(O)(CF)CF
InChIInChI=1S/C7H14F2O/c1-3-6(2)7(10,4-8)5-9/h6,10H,3-5H2,1-2H3
InChIKeyAXOLDSUGENWMCS-UHFFFAOYSA-N
MW152.18 g/mol
LogP1.70
Rot. Bonds4

About 1-fluoro-2-(fluoromethyl)-3-methylpentan-2-ol

1-fluoro-2-(fluoromethyl)-3-methylpentan-2-ol (PubChem CID 89097736) has the molecular formula C7H14F2O and a molecular weight of 152.18 g/mol. Its IUPAC name is 1-fluoro-2-(fluoromethyl)-3-methylpentan-2-ol.

Molecular Properties

Compound Name1-fluoro-2-(fluoromethyl)-3-methylpentan-2-ol
PubChem CID89097736
Molecular FormulaC7H14F2O
Molecular Weight152.18 g/mol
Exact Mass152.10
IUPAC Name1-fluoro-2-(fluoromethyl)-3-methylpentan-2-ol
SMILESCCC(C)C(O)(CF)CF
InChIInChI=1S/C7H14F2O/c1-3-6(2)7(10,4-8)5-9/h6,10H,3-5H2,1-2H3
InChIKeyAXOLDSUGENWMCS-UHFFFAOYSA-N
XLogP1.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(fluoromethyl)-3-methylpentan-2-ol?
The IUPAC name of 1-fluoro-2-(fluoromethyl)-3-methylpentan-2-ol (CID 89097736) is 1-fluoro-2-(fluoromethyl)-3-methylpentan-2-ol.
What is the SMILES notation for 1-fluoro-2-(fluoromethyl)-3-methylpentan-2-ol?
The canonical SMILES for 1-fluoro-2-(fluoromethyl)-3-methylpentan-2-ol is CCC(C)C(O)(CF)CF.
What is the InChIKey of 1-fluoro-2-(fluoromethyl)-3-methylpentan-2-ol?
The InChIKey is AXOLDSUGENWMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O/c1-3-6(2)7(10,4-8)5-9/h6,10H,3-5H2,1-2H3.
What are the key properties of 1-fluoro-2-(fluoromethyl)-3-methylpentan-2-ol?
1-fluoro-2-(fluoromethyl)-3-methylpentan-2-ol has a molecular weight of 152.18 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(fluoromethyl)-3-methylpentan-2-ol is sourced from PubChem (CID 89097736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).