CID 174640608

C2H9BFNO4P — CID 174640608

IUPAC—
SMILESF.NCCOP(=O)(O)O.[B]
InChIInChI=1S/C2H8NO4P.B.FH/c3-1-2-7-8(4,5)6;;/h1-3H2,(H2,4,5,6);;1H
InChIKeyDRXSYRJRJRHQKY-UHFFFAOYSA-N
MW171.88 g/mol
LogP-1.17
Rot. Bonds3

About CID 174640608

CID 174640608 (PubChem CID 174640608) has the molecular formula C2H9BFNO4P and a molecular weight of 171.88 g/mol.

Molecular Properties

Compound NameCID 174640608
PubChem CID174640608
Molecular FormulaC2H9BFNO4P
Molecular Weight171.88 g/mol
Exact Mass172.03
IUPAC Name—
SMILESF.NCCOP(=O)(O)O.[B]
InChIInChI=1S/C2H8NO4P.B.FH/c3-1-2-7-8(4,5)6;;/h1-3H2,(H2,4,5,6);;1H
InChIKeyDRXSYRJRJRHQKY-UHFFFAOYSA-N
XLogP-1.17
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.88
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;bis(2-aminoethyl dihydrogen phosphate);copper
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CID 159685474
2-aminoethoxyphosphonamidic acid
CID 139489144
15-aminopentadecyl dihydrogen phosphate
CID 87683192
30-aminotriacontyl dihydrogen phosphate
CID 87681380
38-aminooctatriacontyl dihydrogen phosphate
CID 87686318
25-aminopentacosyl dihydrogen phosphate
CID 87681280
2-aminoethyl dihydrogen phosphate;(2S)-2-amino-3-hydroxypropanoic acid
CID 170987656
6-aminohexyl dihydrogen phosphate;3-aminopropyl dihydrogen phosphate
CID 160794380
2-(3-aminopropylamino)ethyl dihydrogen phosphate
CID 54046186
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276

Frequently Asked Questions

What is the IUPAC name of CID 174640608?
The IUPAC name of CID 174640608 (CID 174640608) is not available.
What is the SMILES notation for CID 174640608?
The canonical SMILES for CID 174640608 is F.NCCOP(=O)(O)O.[B].
What is the InChIKey of CID 174640608?
The InChIKey is DRXSYRJRJRHQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8NO4P.B.FH/c3-1-2-7-8(4,5)6;;/h1-3H2,(H2,4,5,6);;1H.
What are the key properties of CID 174640608?
CID 174640608 has a molecular weight of 171.88 g/mol, XLogP of -1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174640608 is sourced from PubChem (CID 174640608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).