3-[4-(aminomethyl)-3-fluorophenyl]prop-2-yn-1-ol

C10H10FNO — CID 169485026

IUPAC3-[4-(aminomethyl)-3-fluorophenyl]prop-2-yn-1-ol
SMILESNCc1ccc(C#CCO)cc1F
InChIInChI=1S/C10H10FNO/c11-10-6-8(2-1-5-13)3-4-9(10)7-12/h3-4,6,13H,5,7,12H2
InChIKeyBHGOGFQQNBMWLX-UHFFFAOYSA-N
MW179.19 g/mol
LogP0.63
Rot. Bonds1

About 3-[4-(aminomethyl)-3-fluorophenyl]prop-2-yn-1-ol

3-[4-(aminomethyl)-3-fluorophenyl]prop-2-yn-1-ol (PubChem CID 169485026) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-3-fluorophenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[4-(aminomethyl)-3-fluorophenyl]prop-2-yn-1-ol
PubChem CID169485026
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name3-[4-(aminomethyl)-3-fluorophenyl]prop-2-yn-1-ol
SMILESNCc1ccc(C#CCO)cc1F
InChIInChI=1S/C10H10FNO/c11-10-6-8(2-1-5-13)3-4-9(10)7-12/h3-4,6,13H,5,7,12H2
InChIKeyBHGOGFQQNBMWLX-UHFFFAOYSA-N
XLogP0.63
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-bromobut-1-ynyl)-2-fluorophenyl]methanamine
CID 170466096
[4-(4-chlorobut-1-ynyl)-2-fluorophenyl]methanamine
CID 170467770
3-[4-[(3,5-diethylpyrazol-1-yl)methyl]-3-fluorophenyl]prop-2-yn-1-ol
CID 82698861
2-[[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methyl]isoindole-1,3-dione
CID 131152359
3-[3-fluoro-4-[[methyl(2-methylsulfanylethyl)amino]methyl]phenyl]prop-2-yn-1-ol
CID 112663926
2,6-difluoro-4-(3-hydroxyprop-1-ynyl)phenol
CID 169484963
3-[3-fluoro-4-[(4-methylpyrazol-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 54970095
3-[3-fluoro-4-(2-methylpentoxymethyl)phenyl]prop-2-yn-1-ol
CID 103284681
3-[[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1,3-thiazol-2-one
CID 63312367
3-[3-fluoro-4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]prop-2-yn-1-ol
CID 107660269
N-[2-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]methanesulfonamide
CID 60813247
3-(3-fluoro-4-nitrophenyl)prop-2-yn-1-ol
CID 169485314

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-3-fluorophenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[4-(aminomethyl)-3-fluorophenyl]prop-2-yn-1-ol (CID 169485026) is 3-[4-(aminomethyl)-3-fluorophenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[4-(aminomethyl)-3-fluorophenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[4-(aminomethyl)-3-fluorophenyl]prop-2-yn-1-ol is NCc1ccc(C#CCO)cc1F.
What is the InChIKey of 3-[4-(aminomethyl)-3-fluorophenyl]prop-2-yn-1-ol?
The InChIKey is BHGOGFQQNBMWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c11-10-6-8(2-1-5-13)3-4-9(10)7-12/h3-4,6,13H,5,7,12H2.
What are the key properties of 3-[4-(aminomethyl)-3-fluorophenyl]prop-2-yn-1-ol?
3-[4-(aminomethyl)-3-fluorophenyl]prop-2-yn-1-ol has a molecular weight of 179.19 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-3-fluorophenyl]prop-2-yn-1-ol is sourced from PubChem (CID 169485026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).