1-fluorobutane

C4H9F — CID 16908

IUPAC1-fluorobutane
SMILESCCCCF
InChIInChI=1S/C4H9F/c1-2-3-4-5/h2-4H2,1H3
InChIKeyFCBJLBCGHCTPAQ-UHFFFAOYSA-N
MW76.11 g/mol
LogP1.76
Rot. Bonds2

About 1-fluorobutane

1-fluorobutane (PubChem CID 16908) has the molecular formula C4H9F and a molecular weight of 76.11 g/mol. Its IUPAC name is 1-fluorobutane.

Molecular Properties

Compound Name1-fluorobutane
PubChem CID16908
Molecular FormulaC4H9F
Molecular Weight76.11 g/mol
Exact Mass76.07
IUPAC Name1-fluorobutane
SMILESCCCCF
InChIInChI=1S/C4H9F/c1-2-3-4-5/h2-4H2,1H3
InChIKeyFCBJLBCGHCTPAQ-UHFFFAOYSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.11
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluorobutane?
The IUPAC name of 1-fluorobutane (CID 16908) is 1-fluorobutane.
What is the SMILES notation for 1-fluorobutane?
The canonical SMILES for 1-fluorobutane is CCCCF.
What is the InChIKey of 1-fluorobutane?
The InChIKey is FCBJLBCGHCTPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F/c1-2-3-4-5/h2-4H2,1H3.
What are the key properties of 1-fluorobutane?
1-fluorobutane has a molecular weight of 76.11 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobutane is sourced from PubChem (CID 16908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).