CID 169431670

C9H19BF — CID 169431670

IUPAC—
SMILESC1=CCC=C1.CC.CC.F.[B]
InChIInChI=1S/C5H6.2C2H6.B.FH/c1-2-4-5-3-1;2*1-2;;/h1-4H,5H2;2*1-2H3;;1H
InChIKeyPNXLAUFXMBVISL-UHFFFAOYSA-N
MW157.06 g/mol
LogP3.33
Rot. Bonds

About CID 169431670

CID 169431670 (PubChem CID 169431670) has the molecular formula C9H19BF and a molecular weight of 157.06 g/mol.

Molecular Properties

Compound NameCID 169431670
PubChem CID169431670
Molecular FormulaC9H19BF
Molecular Weight157.06 g/mol
Exact Mass157.16
IUPAC Name—
SMILESC1=CCC=C1.CC.CC.F.[B]
InChIInChI=1S/C5H6.2C2H6.B.FH/c1-2-4-5-3-1;2*1-2;;/h1-4H,5H2;2*1-2H3;;1H
InChIKeyPNXLAUFXMBVISL-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.06
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 159914814
CID 159914814
cyclopenta-1,3-diene
CID 159248657
(6E,9E,12Z)-cyclotetradeca-1,3,6,9,12-pentaene
CID 173030463
cyclopenta-1,3-diene;hafnium;dichloride
CID 174329736
potassium cyclopenta-1,3-diene
CID 22494929
sodium cyclopenta-1,3-diene
CID 19606718
bis(cyclopenta-1,3-diene);hydrobromide
CID 173376640
cyclopenta-1,3-diene;scandium
CID 158619793
(1E,3Z,5E)-cyclododeca-1,3,5,8,10-pentaene
CID 173030962
chromium;cyclopenta-1,3-diene
CID 158699246
(1Z,3E,5Z,8E)-cyclododeca-1,3,5,8,10-pentaene
CID 173118485
cyclopenta-1,3-diene;osmium
CID 161133624

Frequently Asked Questions

What is the IUPAC name of CID 169431670?
The IUPAC name of CID 169431670 (CID 169431670) is not available.
What is the SMILES notation for CID 169431670?
The canonical SMILES for CID 169431670 is C1=CCC=C1.CC.CC.F.[B].
What is the InChIKey of CID 169431670?
The InChIKey is PNXLAUFXMBVISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6.2C2H6.B.FH/c1-2-4-5-3-1;2*1-2;;/h1-4H,5H2;2*1-2H3;;1H.
What are the key properties of CID 169431670?
CID 169431670 has a molecular weight of 157.06 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169431670 is sourced from PubChem (CID 169431670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).