6-fluorohexan-3-yl hydrogen carbonate

C7H13FO3 — CID 87131877

IUPAC6-fluorohexan-3-yl hydrogen carbonate
SMILESCCC(CCCF)OC(=O)O
InChIInChI=1S/C7H13FO3/c1-2-6(4-3-5-8)11-7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyVSJQHSUBFZSNKL-UHFFFAOYSA-N
MW164.18 g/mol
LogP2.21
Rot. Bonds5

About 6-fluorohexan-3-yl hydrogen carbonate

6-fluorohexan-3-yl hydrogen carbonate (PubChem CID 87131877) has the molecular formula C7H13FO3 and a molecular weight of 164.18 g/mol. Its IUPAC name is 6-fluorohexan-3-yl hydrogen carbonate.

Molecular Properties

Compound Name6-fluorohexan-3-yl hydrogen carbonate
PubChem CID87131877
Molecular FormulaC7H13FO3
Molecular Weight164.18 g/mol
Exact Mass164.08
IUPAC Name6-fluorohexan-3-yl hydrogen carbonate
SMILESCCC(CCCF)OC(=O)O
InChIInChI=1S/C7H13FO3/c1-2-6(4-3-5-8)11-7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyVSJQHSUBFZSNKL-UHFFFAOYSA-N
XLogP2.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluorohexan-3-yl hydrogen carbonate?
The IUPAC name of 6-fluorohexan-3-yl hydrogen carbonate (CID 87131877) is 6-fluorohexan-3-yl hydrogen carbonate.
What is the SMILES notation for 6-fluorohexan-3-yl hydrogen carbonate?
The canonical SMILES for 6-fluorohexan-3-yl hydrogen carbonate is CCC(CCCF)OC(=O)O.
What is the InChIKey of 6-fluorohexan-3-yl hydrogen carbonate?
The InChIKey is VSJQHSUBFZSNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3/c1-2-6(4-3-5-8)11-7(9)10/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 6-fluorohexan-3-yl hydrogen carbonate?
6-fluorohexan-3-yl hydrogen carbonate has a molecular weight of 164.18 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorohexan-3-yl hydrogen carbonate is sourced from PubChem (CID 87131877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).