CID 174813685

C10AlF7 — CID 174813685

IUPAC—
SMILESFc1c(F)c(F)c2c([Al])c(F)c(F)c(F)c2c1F
InChIInChI=1S/C10F7.Al/c11-3-1-2-4(7(14)6(3)13)8(15)10(17)9(16)5(2)12;
InChIKeyJGUWGBFMSXUNFO-UHFFFAOYSA-N
MW280.08 g/mol
LogP2.61
Rot. Bonds

About CID 174813685

CID 174813685 (PubChem CID 174813685) has the molecular formula C10AlF7 and a molecular weight of 280.08 g/mol.

Molecular Properties

Compound NameCID 174813685
PubChem CID174813685
Molecular FormulaC10AlF7
Molecular Weight280.08 g/mol
Exact Mass279.97
IUPAC Name—
SMILESFc1c(F)c(F)c2c([Al])c(F)c(F)c(F)c2c1F
InChIInChI=1S/C10F7.Al/c11-3-1-2-4(7(14)6(3)13)8(15)10(17)9(16)5(2)12;
InChIKeyJGUWGBFMSXUNFO-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.08
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze CID 174813685 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,5,6,8,9,11,12,19,20-decafluorohexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene
CID 58827575
1,2,3,4,5,6,7,8,9,10,11,12-dodecafluorotriphenylene
CID 12871319
1,2,3,4,5,6,7,9,10-nonafluoro-8-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrene
CID 151112358
1,2,3,4,5,6,8-heptafluoro-7-methylnaphthalene
CID 3905536
9,10-dibromo-1,2,3,4,5,6,7,8-octafluoroanthracene
CID 91225361
1,2,4,5,6,8-hexafluoro-3,7-bis[(2,3,4,5,6-pentafluorophenyl)sulfanyl]naphthalene
CID 2849409
CID 88594280
CID 88594280
1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2,3,4,5,6,7,8-octafluoronaphthalene
CID 158548980
1,2,3,4,5,6,7,9,10-nonafluoro-8-(1,2,3,4,5,6,7,8-octafluoro-9H-fluoren-9-yl)pyrene
CID 91101153
tris(2,3,4,5,6,7,8-heptafluoronaphthalen-1-yl)-methylboranuide
CID 101101216
2,3,4,6,7,8,9,10-octafluorophenanthrene-1,5-diol
CID 22178338
1,2,3,4,5,6,8-heptafluoro-7-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenyl]naphthalene
CID 121274455

Frequently Asked Questions

What is the IUPAC name of CID 174813685?
The IUPAC name of CID 174813685 (CID 174813685) is not available.
What is the SMILES notation for CID 174813685?
The canonical SMILES for CID 174813685 is Fc1c(F)c(F)c2c([Al])c(F)c(F)c(F)c2c1F.
What is the InChIKey of CID 174813685?
The InChIKey is JGUWGBFMSXUNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F7.Al/c11-3-1-2-4(7(14)6(3)13)8(15)10(17)9(16)5(2)12;.
What are the key properties of CID 174813685?
CID 174813685 has a molecular weight of 280.08 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174813685 is sourced from PubChem (CID 174813685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).