(E)-1-fluoroprop-1-en-2-ol

C3H5FO — CID 142873409

IUPAC(E)-1-fluoroprop-1-en-2-ol
SMILESC/C(O)=C\F
InChIInChI=1S/C3H5FO/c1-3(5)2-4/h2,5H,1H3/b3-2+
InChIKeyOEMOUIWSTKHVKN-NSCUHMNNSA-N
MW76.07 g/mol
LogP1.38
Rot. Bonds

About (E)-1-fluoroprop-1-en-2-ol

(E)-1-fluoroprop-1-en-2-ol (PubChem CID 142873409) has the molecular formula C3H5FO and a molecular weight of 76.07 g/mol. Its IUPAC name is (E)-1-fluoroprop-1-en-2-ol.

Molecular Properties

Compound Name(E)-1-fluoroprop-1-en-2-ol
PubChem CID142873409
Molecular FormulaC3H5FO
Molecular Weight76.07 g/mol
Exact Mass76.03
IUPAC Name(E)-1-fluoroprop-1-en-2-ol
SMILESC/C(O)=C\F
InChIInChI=1S/C3H5FO/c1-3(5)2-4/h2,5H,1H3/b3-2+
InChIKeyOEMOUIWSTKHVKN-NSCUHMNNSA-N
XLogP1.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.07
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-2-methylprop-1-ene;silane
CID 159257141
carbonic acid;(E)-1,2-difluoroprop-1-ene
CID 88574369
prop-1-ene-1,2-diol;hydrate
CID 175907198
(Z)-1,3-difluoro-2-methylprop-1-ene
CID 18520934
(Z)-1,3,3-trifluoro-2-methylbut-1-ene
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(1Z,3E)-1,2,3,4-tetrafluoropenta-1,3-diene
CID 163774312
(Z)-3-chlorobut-2-enoic acid;gallane
CID 173230251
3-fluoro-2-methylprop-2-enamide
CID 140678662
(3E)-penta-1,3-diene-1,1,4-triol
CID 167098733
5-methylhexa-2,4-dien-2-ol
CID 173388590
(E)-1,2-difluoroprop-1-ene;trifluoro(methoxy)methane
CID 165078646
azane;(3-fluoro-2-methylprop-2-enyl)benzene
CID 70515624

Frequently Asked Questions

What is the IUPAC name of (E)-1-fluoroprop-1-en-2-ol?
The IUPAC name of (E)-1-fluoroprop-1-en-2-ol (CID 142873409) is (E)-1-fluoroprop-1-en-2-ol.
What is the SMILES notation for (E)-1-fluoroprop-1-en-2-ol?
The canonical SMILES for (E)-1-fluoroprop-1-en-2-ol is C/C(O)=C\F.
What is the InChIKey of (E)-1-fluoroprop-1-en-2-ol?
The InChIKey is OEMOUIWSTKHVKN-NSCUHMNNSA-N. The full InChI is InChI=1S/C3H5FO/c1-3(5)2-4/h2,5H,1H3/b3-2+.
What are the key properties of (E)-1-fluoroprop-1-en-2-ol?
(E)-1-fluoroprop-1-en-2-ol has a molecular weight of 76.07 g/mol, XLogP of 1.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluoroprop-1-en-2-ol is sourced from PubChem (CID 142873409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).