CID 174102007

C14H20BF2P — CID 174102007

IUPAC—
SMILES[B]c1c(F)c(C(C)(C)C)c(P)c(F)c1C(C)(C)C
InChIInChI=1S/C14H20BF2P/c1-13(2,3)7-9(15)10(16)8(14(4,5)6)12(18)11(7)17/h18H2,1-6H3
InChIKeyYMJBEDODCSADMU-UHFFFAOYSA-N
MW268.10 g/mol
LogP2.85
Rot. Bonds

About CID 174102007

CID 174102007 (PubChem CID 174102007) has the molecular formula C14H20BF2P and a molecular weight of 268.10 g/mol.

Molecular Properties

Compound NameCID 174102007
PubChem CID174102007
Molecular FormulaC14H20BF2P
Molecular Weight268.10 g/mol
Exact Mass268.14
IUPAC Name—
SMILES[B]c1c(F)c(C(C)(C)C)c(P)c(F)c1C(C)(C)C
InChIInChI=1S/C14H20BF2P/c1-13(2,3)7-9(15)10(16)8(14(4,5)6)12(18)11(7)17/h18H2,1-6H3
InChIKeyYMJBEDODCSADMU-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 174102007?
The IUPAC name of CID 174102007 (CID 174102007) is not available.
What is the SMILES notation for CID 174102007?
The canonical SMILES for CID 174102007 is [B]c1c(F)c(C(C)(C)C)c(P)c(F)c1C(C)(C)C.
What is the InChIKey of CID 174102007?
The InChIKey is YMJBEDODCSADMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BF2P/c1-13(2,3)7-9(15)10(16)8(14(4,5)6)12(18)11(7)17/h18H2,1-6H3.
What are the key properties of CID 174102007?
CID 174102007 has a molecular weight of 268.10 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174102007 is sourced from PubChem (CID 174102007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).