CID 58696093

C8H7F2N — CID 58696093

IUPAC—
SMILES[CH]NCc1ccc(F)cc1F
InChIInChI=1S/C8H7F2N/c1-11-5-6-2-3-7(9)4-8(6)10/h1-4,11H,5H2
InChIKeyINUBXQKHOPMRAL-UHFFFAOYSA-N
MW155.15 g/mol
LogP1.72
Rot. Bonds2

About CID 58696093

CID 58696093 (PubChem CID 58696093) has the molecular formula C8H7F2N and a molecular weight of 155.15 g/mol.

Molecular Properties

Compound NameCID 58696093
PubChem CID58696093
Molecular FormulaC8H7F2N
Molecular Weight155.15 g/mol
Exact Mass155.05
IUPAC Name—
SMILES[CH]NCc1ccc(F)cc1F
InChIInChI=1S/C8H7F2N/c1-11-5-6-2-3-7(9)4-8(6)10/h1-4,11H,5H2
InChIKeyINUBXQKHOPMRAL-UHFFFAOYSA-N
XLogP1.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)-N-fluoromethanamine
CID 142839769
(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
N-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline
CID 55118690
N-[(2,4-difluorophenyl)methyl]pent-4-yn-1-amine
CID 115656482
N-[(2,4-difluorophenyl)methyl]butan-2-amine
CID 43177291
(2,4-difluorophenyl)methylthiourea;hydrochloride
CID 87521044
N-[(2,4-difluorophenyl)methyl]hex-5-yn-1-amine
CID 115694209
4-[[(2,4-difluorophenyl)methylamino]methyl]-N-methylbenzamide
CID 28620047
2-bromo-N-[(2,4-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43168292
3-[(2,4-difluorophenyl)methylamino]propane-1,2-diol
CID 66174825
3,5-dichloro-N-[(2,4-difluorophenyl)methyl]-4-fluoroaniline
CID 107572844
N-[(2,4-difluorophenyl)methyl]thietan-3-amine
CID 130654551

Frequently Asked Questions

What is the IUPAC name of CID 58696093?
The IUPAC name of CID 58696093 (CID 58696093) is not available.
What is the SMILES notation for CID 58696093?
The canonical SMILES for CID 58696093 is [CH]NCc1ccc(F)cc1F.
What is the InChIKey of CID 58696093?
The InChIKey is INUBXQKHOPMRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N/c1-11-5-6-2-3-7(9)4-8(6)10/h1-4,11H,5H2.
What are the key properties of CID 58696093?
CID 58696093 has a molecular weight of 155.15 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58696093 is sourced from PubChem (CID 58696093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).