CID 153370966

C7H13BFN — CID 153370966

IUPAC—
SMILES[B]N(C=C)CCCC(C)F
InChIInChI=1S/C7H13BFN/c1-3-10(8)6-4-5-7(2)9/h3,7H,1,4-6H2,2H3
InChIKeyXCZJQWLQKCFQGD-UHFFFAOYSA-N
MW141.00 g/mol
LogP1.65
Rot. Bonds5

About CID 153370966

CID 153370966 (PubChem CID 153370966) has the molecular formula C7H13BFN and a molecular weight of 141.00 g/mol.

Molecular Properties

Compound NameCID 153370966
PubChem CID153370966
Molecular FormulaC7H13BFN
Molecular Weight141.00 g/mol
Exact Mass141.11
IUPAC Name—
SMILES[B]N(C=C)CCCC(C)F
InChIInChI=1S/C7H13BFN/c1-3-10(8)6-4-5-7(2)9/h3,7H,1,4-6H2,2H3
InChIKeyXCZJQWLQKCFQGD-UHFFFAOYSA-N
XLogP1.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.00
LogP ≤ 51.65
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

ethane;N-ethenyl-3-fluoro-N-methylbutan-1-amine;methanamine
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3-fluoro-N,N-dimethylbutan-1-amine
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(2R)-2-(18F)fluoro-6-methylheptane
CID 153412043
4-fluoropentane-1-thiol
CID 87282782
1,6-difluoroheptane
CID 139983024
1,8-difluorononane
CID 168864691
2-fluorohenicosane
CID 91354486
ethyl N-(4-fluoropentyl)-N-methylcarbamate
CID 142292737
6-fluoroheptan-1-amine
CID 83855129
4-fluoro-N-methylpentan-1-amine
CID 123463233
4-fluoropentyl formate
CID 87282632
(E)-9-fluorodec-2-ene
CID 22172002

Frequently Asked Questions

What is the IUPAC name of CID 153370966?
The IUPAC name of CID 153370966 (CID 153370966) is not available.
What is the SMILES notation for CID 153370966?
The canonical SMILES for CID 153370966 is [B]N(C=C)CCCC(C)F.
What is the InChIKey of CID 153370966?
The InChIKey is XCZJQWLQKCFQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13BFN/c1-3-10(8)6-4-5-7(2)9/h3,7H,1,4-6H2,2H3.
What are the key properties of CID 153370966?
CID 153370966 has a molecular weight of 141.00 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153370966 is sourced from PubChem (CID 153370966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).