CID 174801189

C7H2BF6N — CID 174801189

IUPAC—
SMILES[B]c1cnc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C7H2BF6N/c8-4-2-15-5(7(12,13)14)1-3(4)6(9,10)11/h1-2H
InChIKeyGYCKFGHUNIYJBR-UHFFFAOYSA-N
MW224.90 g/mol
LogP1.91
Rot. Bonds

About CID 174801189

CID 174801189 (PubChem CID 174801189) has the molecular formula C7H2BF6N and a molecular weight of 224.90 g/mol.

Molecular Properties

Compound NameCID 174801189
PubChem CID174801189
Molecular FormulaC7H2BF6N
Molecular Weight224.90 g/mol
Exact Mass225.02
IUPAC Name—
SMILES[B]c1cnc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C7H2BF6N/c8-4-2-15-5(7(12,13)14)1-3(4)6(9,10)11/h1-2H
InChIKeyGYCKFGHUNIYJBR-UHFFFAOYSA-N
XLogP1.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.90
LogP ≤ 51.91
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

CID 144790019
CID 144790019
[4,6-bis(trifluoromethyl)-3-pyridinyl]methanol
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2-tert-butyl-5-iodo-4-(trifluoromethyl)pyridine
CID 121384489
4-bromo-5-(chloromethyl)-2-(trifluoromethyl)pyridine
CID 130893901
2-[2,5-bis(trifluoromethyl)-4-pyridinyl]-2-hydroxyacetic acid
CID 133094666
4-bromo-5-methyl-2-(trifluoromethyl)pyridine
CID 91757612
6-bromo-3-(trifluoromethyl)isoquinoline
CID 154827809
5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine
CID 167506610
3-iodo-5-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyridine
CID 121232096
5-iodo-4-methoxy-2-(trifluoromethyl)pyridine
CID 121228606
[4-amino-6-(trifluoromethyl)-3-pyridinyl]carbamic acid
CID 126664814
CID 174135089
CID 174135089

Frequently Asked Questions

What is the IUPAC name of CID 174801189?
The IUPAC name of CID 174801189 (CID 174801189) is not available.
What is the SMILES notation for CID 174801189?
The canonical SMILES for CID 174801189 is [B]c1cnc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of CID 174801189?
The InChIKey is GYCKFGHUNIYJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BF6N/c8-4-2-15-5(7(12,13)14)1-3(4)6(9,10)11/h1-2H.
What are the key properties of CID 174801189?
CID 174801189 has a molecular weight of 224.90 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174801189 is sourced from PubChem (CID 174801189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).