2-fluoro-2-prop-2-enylpentane-1,5-diol

C8H15FO2 — CID 146607254

IUPAC2-fluoro-2-prop-2-enylpentane-1,5-diol
SMILESC=CCC(F)(CO)CCCO
InChIInChI=1S/C8H15FO2/c1-2-4-8(9,7-11)5-3-6-10/h2,10-11H,1,3-7H2
InChIKeyXGZPCETVFMEOPW-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.04
Rot. Bonds6

About 2-fluoro-2-prop-2-enylpentane-1,5-diol

2-fluoro-2-prop-2-enylpentane-1,5-diol (PubChem CID 146607254) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is 2-fluoro-2-prop-2-enylpentane-1,5-diol.

Molecular Properties

Compound Name2-fluoro-2-prop-2-enylpentane-1,5-diol
PubChem CID146607254
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Name2-fluoro-2-prop-2-enylpentane-1,5-diol
SMILESC=CCC(F)(CO)CCCO
InChIInChI=1S/C8H15FO2/c1-2-4-8(9,7-11)5-3-6-10/h2,10-11H,1,3-7H2
InChIKeyXGZPCETVFMEOPW-UHFFFAOYSA-N
XLogP1.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-methylhept-6-ene-1,4-diol
CID 10464446
(2R)-2-fluoro-2-methylpent-4-en-1-ol
CID 57283986
3,3-difluorohexa-1,5-diene
CID 90930184
2,2-difluorohex-5-en-1-ol
CID 150546008
2-prop-2-enylpent-4-ene-1,2-diol
CID 13218060
2-(hydroxymethyl)-2-methyl-3-prop-2-enylhex-5-ene-1,3-diol
CID 23007820
4-[4-[4-(4-prop-2-enoxybutoxy)butoxy]butoxy]butan-1-ol
CID 19068478
4-(4-prop-2-enoxybutoxy)butan-1-ol
CID 87308231
azane;4,4,4-trifluorobut-1-ene
CID 166791740
2,2-bis(hydroxymethyl)pentane-1,5-diol
CID 22166298
methane;4,4,4-trifluorobut-1-ene
CID 157244358
2-pentyl-2-prop-2-enylpropane-1,3-diol
CID 87313857

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-prop-2-enylpentane-1,5-diol?
The IUPAC name of 2-fluoro-2-prop-2-enylpentane-1,5-diol (CID 146607254) is 2-fluoro-2-prop-2-enylpentane-1,5-diol.
What is the SMILES notation for 2-fluoro-2-prop-2-enylpentane-1,5-diol?
The canonical SMILES for 2-fluoro-2-prop-2-enylpentane-1,5-diol is C=CCC(F)(CO)CCCO.
What is the InChIKey of 2-fluoro-2-prop-2-enylpentane-1,5-diol?
The InChIKey is XGZPCETVFMEOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2/c1-2-4-8(9,7-11)5-3-6-10/h2,10-11H,1,3-7H2.
What are the key properties of 2-fluoro-2-prop-2-enylpentane-1,5-diol?
2-fluoro-2-prop-2-enylpentane-1,5-diol has a molecular weight of 162.20 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-prop-2-enylpentane-1,5-diol is sourced from PubChem (CID 146607254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).