CID 174377533

C9H14FN — CID 174377533

IUPAC—
SMILESCC(C)c1ccccc1.NF
InChIInChI=1S/C9H12.FH2N/c1-8(2)9-6-4-3-5-7-9;1-2/h3-8H,1-2H3;2H2
InChIKeyXMGKYVDPPXVSRS-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.64
Rot. Bonds1

About CID 174377533

CID 174377533 (PubChem CID 174377533) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol.

Molecular Properties

Compound NameCID 174377533
PubChem CID174377533
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name—
SMILESCC(C)c1ccccc1.NF
InChIInChI=1S/C9H12.FH2N/c1-8(2)9-6-4-3-5-7-9;1-2/h3-8H,1-2H3;2H2
InChIKeyXMGKYVDPPXVSRS-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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cumene;methanethiol
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azane;cumene;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of CID 174377533?
The IUPAC name of CID 174377533 (CID 174377533) is not available.
What is the SMILES notation for CID 174377533?
The canonical SMILES for CID 174377533 is CC(C)c1ccccc1.NF.
What is the InChIKey of CID 174377533?
The InChIKey is XMGKYVDPPXVSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.FH2N/c1-8(2)9-6-4-3-5-7-9;1-2/h3-8H,1-2H3;2H2.
What are the key properties of CID 174377533?
CID 174377533 has a molecular weight of 155.22 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174377533 is sourced from PubChem (CID 174377533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).