1-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanol

C10H12FNO — CID 104737502

IUPAC1-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanol
SMILESCC(O)(c1ccncc1F)C1CC1
InChIInChI=1S/C10H12FNO/c1-10(13,7-2-3-7)8-4-5-12-6-9(8)11/h4-7,13H,2-3H2,1H3
InChIKeyXZCIPDBECWMFFN-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.84
Rot. Bonds2

About 1-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanol

1-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanol (PubChem CID 104737502) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanol
PubChem CID104737502
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name1-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanol
SMILESCC(O)(c1ccncc1F)C1CC1
InChIInChI=1S/C10H12FNO/c1-10(13,7-2-3-7)8-4-5-12-6-9(8)11/h4-7,13H,2-3H2,1H3
InChIKeyXZCIPDBECWMFFN-UHFFFAOYSA-N
XLogP1.84
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-cyclopropyl-1-pyridin-4-ylethanol
CID 124746902
4-amino-2-(3-fluoro-4-pyridinyl)butan-2-ol
CID 104739345
dicyclopropyl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 112743417
6,6,6-trifluoro-2-(3-fluoro-4-pyridinyl)hexan-2-ol
CID 116535810
2-(3-fluoro-4-pyridinyl)-4,4-dimethoxybutan-2-ol
CID 104737628
1-(4-fluorophenyl)-2-(3-fluoro-4-pyridinyl)propan-2-ol
CID 114832951
2-(3-fluoro-4-pyridinyl)-1-(propylamino)propan-2-ol
CID 104739354
1-(2-fluorophenyl)-1-(3-fluoro-4-pyridinyl)propan-1-ol
CID 104737726
2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol
CID 104737591
(1S)-1-cyclopropyl-1-(2-methylphenyl)ethanol
CID 93311996
2-(1-cyclopropyl-1-hydroxyethyl)phenol
CID 115015171
1-cyclopropyl-1-pyrimidin-5-ylethanol
CID 62492242

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanol?
The IUPAC name of 1-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanol (CID 104737502) is 1-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanol.
What is the SMILES notation for 1-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanol?
The canonical SMILES for 1-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanol is CC(O)(c1ccncc1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanol?
The InChIKey is XZCIPDBECWMFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-10(13,7-2-3-7)8-4-5-12-6-9(8)11/h4-7,13H,2-3H2,1H3.
What are the key properties of 1-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanol?
1-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanol has a molecular weight of 181.21 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(3-fluoro-4-pyridinyl)ethanol is sourced from PubChem (CID 104737502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).