azane;1-fluorobutane

C4H12FN — CID 172690473

IUPACazane;1-fluorobutane
SMILESCCCCF.N
InChIInChI=1S/C4H9F.H3N/c1-2-3-4-5;/h2-4H2,1H3;1H3
InChIKeyBPLPUJJTSPUWBQ-UHFFFAOYSA-N
MW93.15 g/mol
LogP1.92
Rot. Bonds2

About azane;1-fluorobutane

azane;1-fluorobutane (PubChem CID 172690473) has the molecular formula C4H12FN and a molecular weight of 93.15 g/mol. Its IUPAC name is azane;1-fluorobutane.

Molecular Properties

Compound Nameazane;1-fluorobutane
PubChem CID172690473
Molecular FormulaC4H12FN
Molecular Weight93.15 g/mol
Exact Mass93.10
IUPAC Nameazane;1-fluorobutane
SMILESCCCCF.N
InChIInChI=1S/C4H9F.H3N/c1-2-3-4-5;/h2-4H2,1H3;1H3
InChIKeyBPLPUJJTSPUWBQ-UHFFFAOYSA-N
XLogP1.92
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.15
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluorobutane;fluoroethane;methane
CID 157360418
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CID 174651345
1-fluoropentane;methane
CID 160548083
1-fluoropentane;hydrofluoride
CID 159001340
1-fluoroheptatriacontane
CID 54496561
1-fluoropentane;tetrafluoromethane
CID 175069152
azane;hexane
CID 18428977
1-(18F)fluoropropane
CID 59847724
boric acid;1-fluorooctane
CID 174838883
1-fluorobutane;propane;(4R,5S)-tricyclo[3.1.0.02,4]hex-1-ene
CID 144514392
azane;ethane;pentane
CID 87640611

Frequently Asked Questions

What is the IUPAC name of azane;1-fluorobutane?
The IUPAC name of azane;1-fluorobutane (CID 172690473) is azane;1-fluorobutane.
What is the SMILES notation for azane;1-fluorobutane?
The canonical SMILES for azane;1-fluorobutane is CCCCF.N.
What is the InChIKey of azane;1-fluorobutane?
The InChIKey is BPLPUJJTSPUWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F.H3N/c1-2-3-4-5;/h2-4H2,1H3;1H3.
What are the key properties of azane;1-fluorobutane?
azane;1-fluorobutane has a molecular weight of 93.15 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-fluorobutane is sourced from PubChem (CID 172690473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).