1-(5-fluoro-1H-indol-3-yl)prop-2-en-1-ol

C11H10FNO — CID 68783636

IUPAC1-(5-fluoro-1H-indol-3-yl)prop-2-en-1-ol
SMILESC=CC(O)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C11H10FNO/c1-2-11(14)9-6-13-10-4-3-7(12)5-8(9)10/h2-6,11,13-14H,1H2
InChIKeyOEJNUKAVSKOAOM-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.53
Rot. Bonds2

About 1-(5-fluoro-1H-indol-3-yl)prop-2-en-1-ol

1-(5-fluoro-1H-indol-3-yl)prop-2-en-1-ol (PubChem CID 68783636) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is 1-(5-fluoro-1H-indol-3-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-1H-indol-3-yl)prop-2-en-1-ol
PubChem CID68783636
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name1-(5-fluoro-1H-indol-3-yl)prop-2-en-1-ol
SMILESC=CC(O)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C11H10FNO/c1-2-11(14)9-6-13-10-4-3-7(12)5-8(9)10/h2-6,11,13-14H,1H2
InChIKeyOEJNUKAVSKOAOM-UHFFFAOYSA-N
XLogP2.53
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-fluoro-1H-indol-3-yl)propan-1-ol
CID 118499302
5-fluoro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985153
1-(2,5-difluorophenyl)prop-2-en-1-ol
CID 58950540
5-fluoro-1H-indol-3-ol
CID 90083452
(5-ethenyl-1H-indol-3-yl)methanediol
CID 91534909
2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 13060
1-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 55297904
3-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 82617027
3-[(4-chlorophenyl)-(5-fluoro-1H-indol-3-yl)methyl]-5-fluoro-1H-indole
CID 139526052
(3S,4S)-3-amino-4-(5-fluoro-1H-indol-3-yl)pentan-2-one
CID 122607429
ethane;1-(4-fluoro-2-methylphenyl)prop-2-en-1-ol
CID 176716116
3-(difluoromethylsulfanyl)-5-fluoro-1H-indole
CID 122212167

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1H-indol-3-yl)prop-2-en-1-ol?
The IUPAC name of 1-(5-fluoro-1H-indol-3-yl)prop-2-en-1-ol (CID 68783636) is 1-(5-fluoro-1H-indol-3-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(5-fluoro-1H-indol-3-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(5-fluoro-1H-indol-3-yl)prop-2-en-1-ol is C=CC(O)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 1-(5-fluoro-1H-indol-3-yl)prop-2-en-1-ol?
The InChIKey is OEJNUKAVSKOAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c1-2-11(14)9-6-13-10-4-3-7(12)5-8(9)10/h2-6,11,13-14H,1H2.
What are the key properties of 1-(5-fluoro-1H-indol-3-yl)prop-2-en-1-ol?
1-(5-fluoro-1H-indol-3-yl)prop-2-en-1-ol has a molecular weight of 191.20 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1H-indol-3-yl)prop-2-en-1-ol is sourced from PubChem (CID 68783636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).