(R)-3,4-dihydropyrrol-4-ylium-2-yl-(4-fluoro-2-propylphenyl)methanol

C14H15FNO+ — CID 159012561

IUPAC(R)-3,4-dihydropyrrol-4-ylium-2-yl-(4-fluoro-2-propylphenyl)methanol
SMILESCCCc1cc(F)ccc1[C@@H](O)C1=NC=[C+]C1
InChIInChI=1S/C14H15FNO/c1-2-4-10-9-11(15)6-7-12(10)14(17)13-5-3-8-16-13/h6-9,14,17H,2,4-5H2,1H3/q+1/t14-/m1/s1
InChIKeyDNOVWXXBGVGTAT-CQSZACIVSA-N
MW232.28 g/mol
LogP2.97
Rot. Bonds4

About (R)-3,4-dihydropyrrol-4-ylium-2-yl-(4-fluoro-2-propylphenyl)methanol

(R)-3,4-dihydropyrrol-4-ylium-2-yl-(4-fluoro-2-propylphenyl)methanol (PubChem CID 159012561) has the molecular formula C14H15FNO+ and a molecular weight of 232.28 g/mol. Its IUPAC name is (R)-3,4-dihydropyrrol-4-ylium-2-yl-(4-fluoro-2-propylphenyl)methanol.

Molecular Properties

Compound Name(R)-3,4-dihydropyrrol-4-ylium-2-yl-(4-fluoro-2-propylphenyl)methanol
PubChem CID159012561
Molecular FormulaC14H15FNO+
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name(R)-3,4-dihydropyrrol-4-ylium-2-yl-(4-fluoro-2-propylphenyl)methanol
SMILESCCCc1cc(F)ccc1[C@@H](O)C1=NC=[C+]C1
InChIInChI=1S/C14H15FNO/c1-2-4-10-9-11(15)6-7-12(10)14(17)13-5-3-8-16-13/h6-9,14,17H,2,4-5H2,1H3/q+1/t14-/m1/s1
InChIKeyDNOVWXXBGVGTAT-CQSZACIVSA-N
XLogP2.97
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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[5-[2-(Trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methanol
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5-(2-Fluoro-6-methylphenyl)-3-methyl-4,5-dihydro-1,2-oxazole
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methyl N-[(1E,3E)-5-(3-fluorophenyl)-5-hydroxy-2-phenylpenta-1,3-dienyl]ethanimidate
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1-[5-fluoro-2-[N-[(1Z,3E)-hexa-1,3-dienyl]-C-methylcarbonimidoyl]phenyl]ethenol
CID 134287066
9-Fluoro-6-methyl-4,11-dihydrophosphinolino[3,2-b]azepin-11-ol
CID 142980732
(2S)-4-ethenylimino-3,3-difluoro-2-(4-fluoro-2-methylphenyl)pentan-2-ol
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[4-Fluoro-3-(2-methyliminoethyl)phenyl]methanol
CID 145016597
(Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol
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1-[2-(2-fluorophenyl)-3H-pyrrol-4-yl]ethanol
CID 147898535

Frequently Asked Questions

What is the IUPAC name of (R)-3,4-dihydropyrrol-4-ylium-2-yl-(4-fluoro-2-propylphenyl)methanol?
The IUPAC name of (R)-3,4-dihydropyrrol-4-ylium-2-yl-(4-fluoro-2-propylphenyl)methanol (CID 159012561) is (R)-3,4-dihydropyrrol-4-ylium-2-yl-(4-fluoro-2-propylphenyl)methanol.
What is the SMILES notation for (R)-3,4-dihydropyrrol-4-ylium-2-yl-(4-fluoro-2-propylphenyl)methanol?
The canonical SMILES for (R)-3,4-dihydropyrrol-4-ylium-2-yl-(4-fluoro-2-propylphenyl)methanol is CCCc1cc(F)ccc1[C@@H](O)C1=NC=[C+]C1.
What is the InChIKey of (R)-3,4-dihydropyrrol-4-ylium-2-yl-(4-fluoro-2-propylphenyl)methanol?
The InChIKey is DNOVWXXBGVGTAT-CQSZACIVSA-N. The full InChI is InChI=1S/C14H15FNO/c1-2-4-10-9-11(15)6-7-12(10)14(17)13-5-3-8-16-13/h6-9,14,17H,2,4-5H2,1H3/q+1/t14-/m1/s1.
What are the key properties of (R)-3,4-dihydropyrrol-4-ylium-2-yl-(4-fluoro-2-propylphenyl)methanol?
(R)-3,4-dihydropyrrol-4-ylium-2-yl-(4-fluoro-2-propylphenyl)methanol has a molecular weight of 232.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-3,4-dihydropyrrol-4-ylium-2-yl-(4-fluoro-2-propylphenyl)methanol is sourced from PubChem (CID 159012561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).