CID 174591366

C9H10BFO — CID 174591366

IUPAC—
SMILES[B]c1cc(F)ccc1OCCC
InChIInChI=1S/C9H10BFO/c1-2-5-12-9-4-3-7(11)6-8(9)10/h3-4,6H,2,5H2,1H3
InChIKeyVPANQLMHFIKNMV-UHFFFAOYSA-N
MW163.99 g/mol
LogP1.41
Rot. Bonds3

About CID 174591366

CID 174591366 (PubChem CID 174591366) has the molecular formula C9H10BFO and a molecular weight of 163.99 g/mol.

Molecular Properties

Compound NameCID 174591366
PubChem CID174591366
Molecular FormulaC9H10BFO
Molecular Weight163.99 g/mol
Exact Mass164.08
IUPAC Name—
SMILES[B]c1cc(F)ccc1OCCC
InChIInChI=1S/C9H10BFO/c1-2-5-12-9-4-3-7(11)6-8(9)10/h3-4,6H,2,5H2,1H3
InChIKeyVPANQLMHFIKNMV-UHFFFAOYSA-N
XLogP1.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.99
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-1-methoxy-2-propoxybenzene
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1-(5-fluoro-2-propoxyphenyl)propan-1-one
CID 82268324
4-fluoro-2-propoxybenzaldehyde
CID 74889364
2-(5-fluoro-2-propoxyanilino)ethanol
CID 167924183
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525
1-(5-fluoro-2-propoxyphenyl)heptane-3,4-diol
CID 83944242
propan-2-yl 2-(5-fluoro-2-propoxyphenyl)acetate
CID 82551406
CID 89282398
CID 89282398
1-chloro-2-fluoro-3-propoxybenzene
CID 125116301

Frequently Asked Questions

What is the IUPAC name of CID 174591366?
The IUPAC name of CID 174591366 (CID 174591366) is not available.
What is the SMILES notation for CID 174591366?
The canonical SMILES for CID 174591366 is [B]c1cc(F)ccc1OCCC.
What is the InChIKey of CID 174591366?
The InChIKey is VPANQLMHFIKNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BFO/c1-2-5-12-9-4-3-7(11)6-8(9)10/h3-4,6H,2,5H2,1H3.
What are the key properties of CID 174591366?
CID 174591366 has a molecular weight of 163.99 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174591366 is sourced from PubChem (CID 174591366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).