4,4-difluorobut-3-en-1-ol

C4H6F2O — CID 14855882

IUPAC4,4-difluorobut-3-en-1-ol
SMILESOCCC=C(F)F
InChIInChI=1S/C4H6F2O/c5-4(6)2-1-3-7/h2,7H,1,3H2
InChIKeyZCSILCHJOKWNLB-UHFFFAOYSA-N
MW108.09 g/mol
LogP1.15
Rot. Bonds2

About 4,4-difluorobut-3-en-1-ol

4,4-difluorobut-3-en-1-ol (PubChem CID 14855882) has the molecular formula C4H6F2O and a molecular weight of 108.09 g/mol. Its IUPAC name is 4,4-difluorobut-3-en-1-ol.

Molecular Properties

Compound Name4,4-difluorobut-3-en-1-ol
PubChem CID14855882
Molecular FormulaC4H6F2O
Molecular Weight108.09 g/mol
Exact Mass108.04
IUPAC Name4,4-difluorobut-3-en-1-ol
SMILESOCCC=C(F)F
InChIInChI=1S/C4H6F2O/c5-4(6)2-1-3-7/h2,7H,1,3H2
InChIKeyZCSILCHJOKWNLB-UHFFFAOYSA-N
XLogP1.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.09
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 90803508
CID 90803508
1,1-difluorobut-1-ene;propane
CID 54149650
(5E,9E,13E,17E)-1,1,22,22-tetrafluoro-5,9,14,18-tetramethyldocosa-1,5,9,13,17,21-hexaene
CID 15119646
2-(3-hydroxypropylidene)propanedial
CID 141350211
6,6-difluorohex-5-enoic acid
CID 11298056
2-(4,4-difluorobut-3-enyl)propanedioic acid
CID 19082451
3,3-difluoroprop-2-en-1-amine
CID 21111689
4-(5-hydroxypent-2-en-2-yloxy)pent-3-en-1-ol
CID 141072795
(Z)-3-methylhex-3-ene-1,6-diol
CID 129322397
1,1-difluoro-6-methoxyhex-1-ene
CID 91005146
1,1,5,6,6,6-hexafluoro-5-methylhex-1-ene
CID 88590946
6,6-difluorohex-5-enoic acid chloride
CID 86749714

Frequently Asked Questions

What is the IUPAC name of 4,4-difluorobut-3-en-1-ol?
The IUPAC name of 4,4-difluorobut-3-en-1-ol (CID 14855882) is 4,4-difluorobut-3-en-1-ol.
What is the SMILES notation for 4,4-difluorobut-3-en-1-ol?
The canonical SMILES for 4,4-difluorobut-3-en-1-ol is OCCC=C(F)F.
What is the InChIKey of 4,4-difluorobut-3-en-1-ol?
The InChIKey is ZCSILCHJOKWNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O/c5-4(6)2-1-3-7/h2,7H,1,3H2.
What are the key properties of 4,4-difluorobut-3-en-1-ol?
4,4-difluorobut-3-en-1-ol has a molecular weight of 108.09 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluorobut-3-en-1-ol is sourced from PubChem (CID 14855882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).