(2R)-3-ethyl-3-fluoropentane-1,2-diol

C7H15FO2 — CID 15881150

IUPAC(2R)-3-ethyl-3-fluoropentane-1,2-diol
SMILESCCC(F)(CC)[C@H](O)CO
InChIInChI=1S/C7H15FO2/c1-3-7(8,4-2)6(10)5-9/h6,9-10H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyDBZQZDBOQUVBPW-ZCFIWIBFSA-N
MW150.19 g/mol
LogP0.87
Rot. Bonds4

About (2R)-3-ethyl-3-fluoropentane-1,2-diol

(2R)-3-ethyl-3-fluoropentane-1,2-diol (PubChem CID 15881150) has the molecular formula C7H15FO2 and a molecular weight of 150.19 g/mol. Its IUPAC name is (2R)-3-ethyl-3-fluoropentane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-ethyl-3-fluoropentane-1,2-diol
PubChem CID15881150
Molecular FormulaC7H15FO2
Molecular Weight150.19 g/mol
Exact Mass150.11
IUPAC Name(2R)-3-ethyl-3-fluoropentane-1,2-diol
SMILESCCC(F)(CC)[C@H](O)CO
InChIInChI=1S/C7H15FO2/c1-3-7(8,4-2)6(10)5-9/h6,9-10H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyDBZQZDBOQUVBPW-ZCFIWIBFSA-N
XLogP0.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-ethyl-3-fluoropentane-1,2-diol?
The IUPAC name of (2R)-3-ethyl-3-fluoropentane-1,2-diol (CID 15881150) is (2R)-3-ethyl-3-fluoropentane-1,2-diol.
What is the SMILES notation for (2R)-3-ethyl-3-fluoropentane-1,2-diol?
The canonical SMILES for (2R)-3-ethyl-3-fluoropentane-1,2-diol is CCC(F)(CC)[C@H](O)CO.
What is the InChIKey of (2R)-3-ethyl-3-fluoropentane-1,2-diol?
The InChIKey is DBZQZDBOQUVBPW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15FO2/c1-3-7(8,4-2)6(10)5-9/h6,9-10H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-3-ethyl-3-fluoropentane-1,2-diol?
(2R)-3-ethyl-3-fluoropentane-1,2-diol has a molecular weight of 150.19 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-ethyl-3-fluoropentane-1,2-diol is sourced from PubChem (CID 15881150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).