3-fluorobut-3-en-1-ol

C4H7FO — CID 20806740

IUPAC3-fluorobut-3-en-1-ol
SMILESC=C(F)CCO
InChIInChI=1S/C4H7FO/c1-4(5)2-3-6/h6H,1-3H2
InChIKeyPSFNCYUGFYPKSV-UHFFFAOYSA-N
MW90.10 g/mol
LogP0.85
Rot. Bonds2

About 3-fluorobut-3-en-1-ol

3-fluorobut-3-en-1-ol (PubChem CID 20806740) has the molecular formula C4H7FO and a molecular weight of 90.10 g/mol. Its IUPAC name is 3-fluorobut-3-en-1-ol.

Molecular Properties

Compound Name3-fluorobut-3-en-1-ol
PubChem CID20806740
Molecular FormulaC4H7FO
Molecular Weight90.10 g/mol
Exact Mass90.05
IUPAC Name3-fluorobut-3-en-1-ol
SMILESC=C(F)CCO
InChIInChI=1S/C4H7FO/c1-4(5)2-3-6/h6H,1-3H2
InChIKeyPSFNCYUGFYPKSV-UHFFFAOYSA-N
XLogP0.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.10
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluorobut-3-en-1-ol?
The IUPAC name of 3-fluorobut-3-en-1-ol (CID 20806740) is 3-fluorobut-3-en-1-ol.
What is the SMILES notation for 3-fluorobut-3-en-1-ol?
The canonical SMILES for 3-fluorobut-3-en-1-ol is C=C(F)CCO.
What is the InChIKey of 3-fluorobut-3-en-1-ol?
The InChIKey is PSFNCYUGFYPKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO/c1-4(5)2-3-6/h6H,1-3H2.
What are the key properties of 3-fluorobut-3-en-1-ol?
3-fluorobut-3-en-1-ol has a molecular weight of 90.10 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorobut-3-en-1-ol is sourced from PubChem (CID 20806740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).