2-chloro-9-(difluoromethyl)-1,10-phenanthroline

C13H7ClF2N2 — CID 146169798

IUPAC2-chloro-9-(difluoromethyl)-1,10-phenanthroline
SMILESFC(F)c1ccc2ccc3ccc(Cl)nc3c2n1
InChIInChI=1S/C13H7ClF2N2/c14-10-6-4-8-2-1-7-3-5-9(13(15)16)17-11(7)12(8)18-10/h1-6,13H
InChIKeyNBMHIVHBYWPHNN-UHFFFAOYSA-N
MW264.66 g/mol
LogP4.37
Rot. Bonds1

About 2-chloro-9-(difluoromethyl)-1,10-phenanthroline

2-chloro-9-(difluoromethyl)-1,10-phenanthroline (PubChem CID 146169798) has the molecular formula C13H7ClF2N2 and a molecular weight of 264.66 g/mol. Its IUPAC name is 2-chloro-9-(difluoromethyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-chloro-9-(difluoromethyl)-1,10-phenanthroline
PubChem CID146169798
Molecular FormulaC13H7ClF2N2
Molecular Weight264.66 g/mol
Exact Mass264.03
IUPAC Name2-chloro-9-(difluoromethyl)-1,10-phenanthroline
SMILESFC(F)c1ccc2ccc3ccc(Cl)nc3c2n1
InChIInChI=1S/C13H7ClF2N2/c14-10-6-4-8-2-1-7-3-5-9(13(15)16)17-11(7)12(8)18-10/h1-6,13H
InChIKeyNBMHIVHBYWPHNN-UHFFFAOYSA-N
XLogP4.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.66
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-chloro-9-pyridin-2-yl-1,10-phenanthroline
CID 170902643
2,6-bis(difluoromethyl)pyridine
CID 68586040
2,7-dichloro-8-methylquinoline
CID 53217380
4-chloro-2-(difluoromethyl)benzo[h]quinoline
CID 62890724
4-chloro-2-(difluoromethyl)-5,8-difluoroquinoline
CID 62890910
3-chloro-6-(difluoromethyl)pyridine-2-sulfonamide
CID 130095777
2-chloro-6-fluoroquinoline-8-carbonitrile
CID 154728078
2-(difluoromethyl)quinolin-6-ol
CID 118843194
[6-chloro-2-(difluoromethyl)-3-pyridinyl]methanamine
CID 130095492
2-chloro-8-(chloromethyl)quinoline
CID 83223853
3-(bromomethyl)-6-chloro-2-(difluoromethyl)pyridine
CID 130095515
2-[2-chloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119010061

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-(difluoromethyl)-1,10-phenanthroline?
The IUPAC name of 2-chloro-9-(difluoromethyl)-1,10-phenanthroline (CID 146169798) is 2-chloro-9-(difluoromethyl)-1,10-phenanthroline.
What is the SMILES notation for 2-chloro-9-(difluoromethyl)-1,10-phenanthroline?
The canonical SMILES for 2-chloro-9-(difluoromethyl)-1,10-phenanthroline is FC(F)c1ccc2ccc3ccc(Cl)nc3c2n1.
What is the InChIKey of 2-chloro-9-(difluoromethyl)-1,10-phenanthroline?
The InChIKey is NBMHIVHBYWPHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF2N2/c14-10-6-4-8-2-1-7-3-5-9(13(15)16)17-11(7)12(8)18-10/h1-6,13H.
What are the key properties of 2-chloro-9-(difluoromethyl)-1,10-phenanthroline?
2-chloro-9-(difluoromethyl)-1,10-phenanthroline has a molecular weight of 264.66 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-(difluoromethyl)-1,10-phenanthroline is sourced from PubChem (CID 146169798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).