CID 58748813

C12H13FN — CID 58748813

IUPAC—
SMILES[CH2]C(C)Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C12H13FN/c1-8(2)5-9-7-14-12-4-3-10(13)6-11(9)12/h3-4,6-8,14H,1,5H2,2H3
InChIKeyGZOAGZFRBHTVHM-UHFFFAOYSA-N
MW190.24 g/mol
LogP3.32
Rot. Bonds2

About CID 58748813

CID 58748813 (PubChem CID 58748813) has the molecular formula C12H13FN and a molecular weight of 190.24 g/mol.

Molecular Properties

Compound NameCID 58748813
PubChem CID58748813
Molecular FormulaC12H13FN
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name—
SMILES[CH2]C(C)Cc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C12H13FN/c1-8(2)5-9-7-14-12-4-3-10(13)6-11(9)12/h3-4,6-8,14H,1,5H2,2H3
InChIKeyGZOAGZFRBHTVHM-UHFFFAOYSA-N
XLogP3.32
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

[(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium
CID 6921756
1-(5-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117195576
1-(5-fluoro-1H-indol-3-yl)butan-2-amine
CID 118713118
N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine
CID 83776084
(5-fluoro-1H-indol-3-yl)methanethiol
CID 117175254
N-[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-2-methyl-3-methylidenepentan-1-amine
CID 135277087
3-[1-(5-fluoro-1H-indol-3-yl)propan-2-ylamino]-2-methylpropanoic acid
CID 135267291
(2S)-2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid;hydrate
CID 24721259
2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-N-methylbutan-2-amine
CID 166158013
triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium
CID 170545416
2-amino-N-[1-(5-fluoro-1H-indol-3-yl)propan-2-yl]-3,3-dimethylbutanamide
CID 166262078

Frequently Asked Questions

What is the IUPAC name of CID 58748813?
The IUPAC name of CID 58748813 (CID 58748813) is not available.
What is the SMILES notation for CID 58748813?
The canonical SMILES for CID 58748813 is [CH2]C(C)Cc1c[nH]c2ccc(F)cc12.
What is the InChIKey of CID 58748813?
The InChIKey is GZOAGZFRBHTVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN/c1-8(2)5-9-7-14-12-4-3-10(13)6-11(9)12/h3-4,6-8,14H,1,5H2,2H3.
What are the key properties of CID 58748813?
CID 58748813 has a molecular weight of 190.24 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58748813 is sourced from PubChem (CID 58748813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).