1-fluoropentan-3-yl hydrogen carbonate

C6H11FO3 — CID 87131935

IUPAC1-fluoropentan-3-yl hydrogen carbonate
SMILESCCC(CCF)OC(=O)O
InChIInChI=1S/C6H11FO3/c1-2-5(3-4-7)10-6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKeyRCTGPJHJYYVSPS-UHFFFAOYSA-N
MW150.15 g/mol
LogP1.82
Rot. Bonds4

About 1-fluoropentan-3-yl hydrogen carbonate

1-fluoropentan-3-yl hydrogen carbonate (PubChem CID 87131935) has the molecular formula C6H11FO3 and a molecular weight of 150.15 g/mol. Its IUPAC name is 1-fluoropentan-3-yl hydrogen carbonate.

Molecular Properties

Compound Name1-fluoropentan-3-yl hydrogen carbonate
PubChem CID87131935
Molecular FormulaC6H11FO3
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Name1-fluoropentan-3-yl hydrogen carbonate
SMILESCCC(CCF)OC(=O)O
InChIInChI=1S/C6H11FO3/c1-2-5(3-4-7)10-6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKeyRCTGPJHJYYVSPS-UHFFFAOYSA-N
XLogP1.82
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoropentan-3-yl hydrogen carbonate?
The IUPAC name of 1-fluoropentan-3-yl hydrogen carbonate (CID 87131935) is 1-fluoropentan-3-yl hydrogen carbonate.
What is the SMILES notation for 1-fluoropentan-3-yl hydrogen carbonate?
The canonical SMILES for 1-fluoropentan-3-yl hydrogen carbonate is CCC(CCF)OC(=O)O.
What is the InChIKey of 1-fluoropentan-3-yl hydrogen carbonate?
The InChIKey is RCTGPJHJYYVSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3/c1-2-5(3-4-7)10-6(8)9/h5H,2-4H2,1H3,(H,8,9).
What are the key properties of 1-fluoropentan-3-yl hydrogen carbonate?
1-fluoropentan-3-yl hydrogen carbonate has a molecular weight of 150.15 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropentan-3-yl hydrogen carbonate is sourced from PubChem (CID 87131935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).