4-(2-fluoro-1H-pyrrol-3-yl)butan-2-ol

C8H12FNO — CID 155775433

IUPAC4-(2-fluoro-1H-pyrrol-3-yl)butan-2-ol
SMILESCC(O)CCc1cc[nH]c1F
InChIInChI=1S/C8H12FNO/c1-6(11)2-3-7-4-5-10-8(7)9/h4-6,10-11H,2-3H2,1H3
InChIKeyXIKBOWDMCVUONS-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.47
Rot. Bonds3

About 4-(2-fluoro-1H-pyrrol-3-yl)butan-2-ol

4-(2-fluoro-1H-pyrrol-3-yl)butan-2-ol (PubChem CID 155775433) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is 4-(2-fluoro-1H-pyrrol-3-yl)butan-2-ol.

Molecular Properties

Compound Name4-(2-fluoro-1H-pyrrol-3-yl)butan-2-ol
PubChem CID155775433
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name4-(2-fluoro-1H-pyrrol-3-yl)butan-2-ol
SMILESCC(O)CCc1cc[nH]c1F
InChIInChI=1S/C8H12FNO/c1-6(11)2-3-7-4-5-10-8(7)9/h4-6,10-11H,2-3H2,1H3
InChIKeyXIKBOWDMCVUONS-UHFFFAOYSA-N
XLogP1.47
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2-Fluoro-4-pyridinyl)methyl]pyrrolidin-3-ol
CID 66850112
3-(3,3-difluorobutyl)-1H-pyrrole
CID 141084244
3-[5-ethenyl-4-[(E)-2-fluoroprop-1-enyl]-1H-pyrrol-3-yl]propan-1-ol
CID 143749637
2-fluoro-3-propyl-1H-pyrrole
CID 163361919
Pyrrole-3-ethanol
CID 287071
Ethoxy-4,5-tetramethylene pyrrole
CID 129811016
3,3,3-trifluoro-1-(1H-pyrrol-3-yl)propan-1-ol
CID 63748036
4,4,4-trifluoro-1-(1H-pyrrol-3-yl)butan-1-ol
CID 65714214
1-(1H-pyrrol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103210300
3-(2,2-difluoroethoxy)-1-(1H-pyrrol-3-yl)propan-1-ol
CID 103210301
3,3-difluoro-3-(1H-pyrrol-3-yl)propan-1-ol
CID 116841040
2,2-difluoro-2-(1H-pyrrol-3-yl)ethan-1-ol
CID 116841151

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-1H-pyrrol-3-yl)butan-2-ol?
The IUPAC name of 4-(2-fluoro-1H-pyrrol-3-yl)butan-2-ol (CID 155775433) is 4-(2-fluoro-1H-pyrrol-3-yl)butan-2-ol.
What is the SMILES notation for 4-(2-fluoro-1H-pyrrol-3-yl)butan-2-ol?
The canonical SMILES for 4-(2-fluoro-1H-pyrrol-3-yl)butan-2-ol is CC(O)CCc1cc[nH]c1F.
What is the InChIKey of 4-(2-fluoro-1H-pyrrol-3-yl)butan-2-ol?
The InChIKey is XIKBOWDMCVUONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c1-6(11)2-3-7-4-5-10-8(7)9/h4-6,10-11H,2-3H2,1H3.
What are the key properties of 4-(2-fluoro-1H-pyrrol-3-yl)butan-2-ol?
4-(2-fluoro-1H-pyrrol-3-yl)butan-2-ol has a molecular weight of 157.19 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-1H-pyrrol-3-yl)butan-2-ol is sourced from PubChem (CID 155775433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).