CID 14173064

C7Cl4F5NP- — CID 14173064

IUPAC—
SMILESN#C[P-](Cl)(Cl)(Cl)(Cl)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7Cl4F5NP/c8-18(9,10,11,1-17)7-5(15)3(13)2(12)4(14)6(7)16/q-1
InChIKeyVRJLYJKTPBQFCB-UHFFFAOYSA-N
MW365.86 g/mol
LogP5.19
Rot. Bonds1

About CID 14173064

CID 14173064 (PubChem CID 14173064) has the molecular formula C7Cl4F5NP- and a molecular weight of 365.86 g/mol.

Molecular Properties

Compound NameCID 14173064
PubChem CID14173064
Molecular FormulaC7Cl4F5NP-
Molecular Weight365.86 g/mol
Exact Mass363.84
IUPAC Name—
SMILESN#C[P-](Cl)(Cl)(Cl)(Cl)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C7Cl4F5NP/c8-18(9,10,11,1-17)7-5(15)3(13)2(12)4(14)6(7)16/q-1
InChIKeyVRJLYJKTPBQFCB-UHFFFAOYSA-N
XLogP5.19
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.86
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2,3,5,6-tetrafluorobenzene-1,4-dicarbonitrile;2,4,5,6-tetrafluorobenzene-1,3-dicarbonitrile
CID 87620295
2-chloro-3,4,5,6-tetrafluorobenzonitrile
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3-chloro-2,4,5,6-tetrafluorobenzonitrile
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CID 23417379
CID 23417379
2,4,6-trifluorobenzene-1,3,5-tricarbonitrile
CID 12745042
chloroform;1,2,3,4,5,6-hexafluorobenzene
CID 88844681
3,5-difluoro-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)benzonitrile
CID 102071858
2,2,2-tris[2,6-dichloro-3,5-difluoro-4-(trifluoromethyl)phenyl]acetonitrile
CID 175250843
CID 159997610
CID 159997610
lithium dicyano-fluoro-(2,3,4,5,6-pentafluorophenyl)boranuide
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Frequently Asked Questions

What is the IUPAC name of CID 14173064?
The IUPAC name of CID 14173064 (CID 14173064) is not available.
What is the SMILES notation for CID 14173064?
The canonical SMILES for CID 14173064 is N#C[P-](Cl)(Cl)(Cl)(Cl)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of CID 14173064?
The InChIKey is VRJLYJKTPBQFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7Cl4F5NP/c8-18(9,10,11,1-17)7-5(15)3(13)2(12)4(14)6(7)16/q-1.
What are the key properties of CID 14173064?
CID 14173064 has a molecular weight of 365.86 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14173064 is sourced from PubChem (CID 14173064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).