(3S)-3-amino-3-(4-fluoro-1H-pyrrol-3-yl)propan-1-ol

C7H11FN2O — CID 130884942

IUPAC(3S)-3-amino-3-(4-fluoro-1H-pyrrol-3-yl)propan-1-ol
SMILESN[C@@H](CCO)c1c[nH]cc1F
InChIInChI=1S/C7H11FN2O/c8-6-4-10-3-5(6)7(9)1-2-11/h3-4,7,10-11H,1-2,9H2/t7-/m0/s1
InChIKeyINCTZOQHGILCQS-ZETCQYMHSA-N
MW158.18 g/mol
LogP0.54
Rot. Bonds3

About (3S)-3-amino-3-(4-fluoro-1H-pyrrol-3-yl)propan-1-ol

(3S)-3-amino-3-(4-fluoro-1H-pyrrol-3-yl)propan-1-ol (PubChem CID 130884942) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is (3S)-3-amino-3-(4-fluoro-1H-pyrrol-3-yl)propan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-(4-fluoro-1H-pyrrol-3-yl)propan-1-ol
PubChem CID130884942
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name(3S)-3-amino-3-(4-fluoro-1H-pyrrol-3-yl)propan-1-ol
SMILESN[C@@H](CCO)c1c[nH]cc1F
InChIInChI=1S/C7H11FN2O/c8-6-4-10-3-5(6)7(9)1-2-11/h3-4,7,10-11H,1-2,9H2/t7-/m0/s1
InChIKeyINCTZOQHGILCQS-ZETCQYMHSA-N
XLogP0.54
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(4-fluoro-1H-pyrrol-3-yl)propan-1-ol?
The IUPAC name of (3S)-3-amino-3-(4-fluoro-1H-pyrrol-3-yl)propan-1-ol (CID 130884942) is (3S)-3-amino-3-(4-fluoro-1H-pyrrol-3-yl)propan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-(4-fluoro-1H-pyrrol-3-yl)propan-1-ol?
The canonical SMILES for (3S)-3-amino-3-(4-fluoro-1H-pyrrol-3-yl)propan-1-ol is N[C@@H](CCO)c1c[nH]cc1F.
What is the InChIKey of (3S)-3-amino-3-(4-fluoro-1H-pyrrol-3-yl)propan-1-ol?
The InChIKey is INCTZOQHGILCQS-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H11FN2O/c8-6-4-10-3-5(6)7(9)1-2-11/h3-4,7,10-11H,1-2,9H2/t7-/m0/s1.
What are the key properties of (3S)-3-amino-3-(4-fluoro-1H-pyrrol-3-yl)propan-1-ol?
(3S)-3-amino-3-(4-fluoro-1H-pyrrol-3-yl)propan-1-ol has a molecular weight of 158.18 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(4-fluoro-1H-pyrrol-3-yl)propan-1-ol is sourced from PubChem (CID 130884942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).