CID 123497420

C10H14BF — CID 123497420

IUPAC—
SMILES[B]C(C=CC)=CC(F)=C(C)CC
InChIInChI=1S/C10H14BF/c1-4-6-9(11)7-10(12)8(3)5-2/h4,6-7H,5H2,1-3H3
InChIKeyVOPFKZFUULFWBY-UHFFFAOYSA-N
MW164.03 g/mol
LogP3.27
Rot. Bonds3

About CID 123497420

CID 123497420 (PubChem CID 123497420) has the molecular formula C10H14BF and a molecular weight of 164.03 g/mol.

Molecular Properties

Compound NameCID 123497420
PubChem CID123497420
Molecular FormulaC10H14BF
Molecular Weight164.03 g/mol
Exact Mass164.12
IUPAC Name—
SMILES[B]C(C=CC)=CC(F)=C(C)CC
InChIInChI=1S/C10H14BF/c1-4-6-9(11)7-10(12)8(3)5-2/h4,6-7H,5H2,1-3H3
InChIKeyVOPFKZFUULFWBY-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.03
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-5-methylhepta-2,4-diene
CID 123466906
(2E,4Z)-2,4-difluoro-5-methylhepta-2,4-diene
CID 144768900
4-chloro-5-methylhepta-2,4-diene
CID 123851314
4-methoxy-5-methylhepta-2,4-diene
CID 91556490
(2Z,4E)-2,3-difluorohexa-2,4-diene
CID 142531595
ethyl(3-fluorohexa-2,4-dien-2-yl)borinic acid
CID 123589973
(2E,4E,6E)-2,5-difluoro-4-methylocta-2,4,6-triene
CID 88928216
(2E,5Z)-2,5-difluoro-6-methylocta-2,5-diene
CID 142010132
(2Z,4Z)-3-fluorohexa-2,4-diene-2-thiol
CID 167239113
(3Z,5E)-N-ethyl-6-fluoro-N,3-dimethylocta-3,5-dien-4-amine
CID 174287104
(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene
CID 143399324
(2E,4E,6E)-3,5-difluoro-4-methylocta-2,4,6-triene
CID 88889266

Frequently Asked Questions

What is the IUPAC name of CID 123497420?
The IUPAC name of CID 123497420 (CID 123497420) is not available.
What is the SMILES notation for CID 123497420?
The canonical SMILES for CID 123497420 is [B]C(C=CC)=CC(F)=C(C)CC.
What is the InChIKey of CID 123497420?
The InChIKey is VOPFKZFUULFWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BF/c1-4-6-9(11)7-10(12)8(3)5-2/h4,6-7H,5H2,1-3H3.
What are the key properties of CID 123497420?
CID 123497420 has a molecular weight of 164.03 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123497420 is sourced from PubChem (CID 123497420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).