2-(fluoromethyl)pent-1-en-3-ol

C6H11FO — CID 123568157

IUPAC2-(fluoromethyl)pent-1-en-3-ol
SMILESC=C(CF)C(O)CC
InChIInChI=1S/C6H11FO/c1-3-6(8)5(2)4-7/h6,8H,2-4H2,1H3
InChIKeyYDKJVMCIGSYJCI-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.28
Rot. Bonds3

About 2-(fluoromethyl)pent-1-en-3-ol

2-(fluoromethyl)pent-1-en-3-ol (PubChem CID 123568157) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol. Its IUPAC name is 2-(fluoromethyl)pent-1-en-3-ol.

Molecular Properties

Compound Name2-(fluoromethyl)pent-1-en-3-ol
PubChem CID123568157
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name2-(fluoromethyl)pent-1-en-3-ol
SMILESC=C(CF)C(O)CC
InChIInChI=1S/C6H11FO/c1-3-6(8)5(2)4-7/h6,8H,2-4H2,1H3
InChIKeyYDKJVMCIGSYJCI-UHFFFAOYSA-N
XLogP1.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

pent-1-ene-2,3-diol
CID 87754031
1-fluorobutan-2-ol
CID 13278453
pentan-3-ol
CID 11428
5-methylideneheptane-2,4-diol
CID 140987994
3-hydroxy-2-methylidenepentanoic acid
CID 15082519
(4R)-5-methylidenehept-1-en-4-ol
CID 130622308
hex-1-ene-2,3-diol
CID 87891998
pentan-3-ol;dihydrochloride
CID 141116397
hexan-3-ol
CID 12178
2-hydroxybutanoic acid;2-sulfanylprop-2-enoic acid
CID 159105780
1-iodo-2-methylidenepentan-1-ol
CID 90371441
(3R)-4-methylhexa-4,5-dien-3-ol
CID 11029792

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)pent-1-en-3-ol?
The IUPAC name of 2-(fluoromethyl)pent-1-en-3-ol (CID 123568157) is 2-(fluoromethyl)pent-1-en-3-ol.
What is the SMILES notation for 2-(fluoromethyl)pent-1-en-3-ol?
The canonical SMILES for 2-(fluoromethyl)pent-1-en-3-ol is C=C(CF)C(O)CC.
What is the InChIKey of 2-(fluoromethyl)pent-1-en-3-ol?
The InChIKey is YDKJVMCIGSYJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c1-3-6(8)5(2)4-7/h6,8H,2-4H2,1H3.
What are the key properties of 2-(fluoromethyl)pent-1-en-3-ol?
2-(fluoromethyl)pent-1-en-3-ol has a molecular weight of 118.15 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)pent-1-en-3-ol is sourced from PubChem (CID 123568157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).