2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile

C14H9ClF2N2 — CID 43580270

IUPAC2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1NCc1c(F)cccc1Cl
InChIInChI=1S/C14H9ClF2N2/c15-11-3-1-4-13(17)10(11)8-19-14-6-2-5-12(16)9(14)7-18/h1-6,19H,8H2
InChIKeyTUTNGCPWDSLVAU-UHFFFAOYSA-N
MW278.69 g/mol
LogP4.10
Rot. Bonds3

About 2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile

2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile (PubChem CID 43580270) has the molecular formula C14H9ClF2N2 and a molecular weight of 278.69 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile
PubChem CID43580270
Molecular FormulaC14H9ClF2N2
Molecular Weight278.69 g/mol
Exact Mass278.04
IUPAC Name2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1NCc1c(F)cccc1Cl
InChIInChI=1S/C14H9ClF2N2/c15-11-3-1-4-13(17)10(11)8-19-14-6-2-5-12(16)9(14)7-18/h1-6,19H,8H2
InChIKeyTUTNGCPWDSLVAU-UHFFFAOYSA-N
XLogP4.10
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,5-dichlorophenyl)methylamino]-6-fluorobenzonitrile
CID 65316370
2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorophenol
CID 69010950
2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile
CID 43399512
5-bromo-2-[(2-chloro-6-fluorophenyl)methylamino]benzonitrile
CID 82708487
2-[(4-bromo-2-fluorophenyl)methylamino]-6-fluorobenzonitrile
CID 43580240
2-chloro-6-[(3-chloro-4-fluorophenyl)methylamino]benzonitrile
CID 62539428
2-fluoro-6-(1,2-oxazol-3-ylmethylamino)benzonitrile
CID 79492719
2-fluoro-6-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]benzonitrile
CID 9024491
N-[(2-chloro-6-fluorophenyl)methyl]-3-iodo-2-methylaniline
CID 114256870
3-[(2-cyano-3-fluoroanilino)methyl]-2-fluorobenzonitrile
CID 107114421
2-fluoro-6-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzonitrile
CID 43580157
3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline
CID 29039317

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile (CID 43580270) is 2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile is N#Cc1c(F)cccc1NCc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile?
The InChIKey is TUTNGCPWDSLVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2/c15-11-3-1-4-13(17)10(11)8-19-14-6-2-5-12(16)9(14)7-18/h1-6,19H,8H2.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile?
2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile has a molecular weight of 278.69 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methylamino]-6-fluorobenzonitrile is sourced from PubChem (CID 43580270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).