3-chloro-N-[[4-(difluoromethyl)phenyl]methyl]-2-fluoroaniline

C14H11ClF3N — CID 115523563

IUPAC3-chloro-N-[[4-(difluoromethyl)phenyl]methyl]-2-fluoroaniline
SMILESFc1c(Cl)cccc1NCc1ccc(C(F)F)cc1
InChIInChI=1S/C14H11ClF3N/c15-11-2-1-3-12(13(11)16)19-8-9-4-6-10(7-5-9)14(17)18/h1-7,14,19H,8H2
InChIKeyMDLJZSWYUIOLBS-UHFFFAOYSA-N
MW285.70 g/mol
LogP5.03
Rot. Bonds4

About 3-chloro-N-[[4-(difluoromethyl)phenyl]methyl]-2-fluoroaniline

3-chloro-N-[[4-(difluoromethyl)phenyl]methyl]-2-fluoroaniline (PubChem CID 115523563) has the molecular formula C14H11ClF3N and a molecular weight of 285.70 g/mol. Its IUPAC name is 3-chloro-N-[[4-(difluoromethyl)phenyl]methyl]-2-fluoroaniline.

Molecular Properties

Compound Name3-chloro-N-[[4-(difluoromethyl)phenyl]methyl]-2-fluoroaniline
PubChem CID115523563
Molecular FormulaC14H11ClF3N
Molecular Weight285.70 g/mol
Exact Mass285.05
IUPAC Name3-chloro-N-[[4-(difluoromethyl)phenyl]methyl]-2-fluoroaniline
SMILESFc1c(Cl)cccc1NCc1ccc(C(F)F)cc1
InChIInChI=1S/C14H11ClF3N/c15-11-2-1-3-12(13(11)16)19-8-9-4-6-10(7-5-9)14(17)18/h1-7,14,19H,8H2
InChIKeyMDLJZSWYUIOLBS-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.70
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-2-fluoro-N-(pyridin-4-ylmethyl)aniline
CID 28879747
3-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]aniline
CID 28879731
3-chloro-2-fluoro-N-(furan-3-ylmethyl)aniline
CID 63204297
3-chloro-2-fluoro-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66408927
N-[(4-bromo-3-fluorophenyl)methyl]-3-chloro-2-fluoroaniline
CID 81436139
4-[(3-chloro-2-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77029574
3-chloro-2-[[4-(difluoromethyl)phenyl]methylamino]benzonitrile
CID 133474656
2-chloro-N-[[4-(difluoromethyl)phenyl]methyl]-4-iodoaniline
CID 115523740
N-[(4-bromo-3-methylphenyl)methyl]-3-chloro-2-fluoroaniline
CID 66474796
N-[[4-(difluoromethyl)phenyl]methyl]-2-(difluoromethylsulfanyl)aniline
CID 115523404
[2-[[4-(difluoromethyl)phenyl]methylamino]phenyl]methanol
CID 115523759
3-chloro-1-N-[(4-propan-2-ylphenyl)methyl]benzene-1,2-diamine
CID 104834390

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-(difluoromethyl)phenyl]methyl]-2-fluoroaniline?
The IUPAC name of 3-chloro-N-[[4-(difluoromethyl)phenyl]methyl]-2-fluoroaniline (CID 115523563) is 3-chloro-N-[[4-(difluoromethyl)phenyl]methyl]-2-fluoroaniline.
What is the SMILES notation for 3-chloro-N-[[4-(difluoromethyl)phenyl]methyl]-2-fluoroaniline?
The canonical SMILES for 3-chloro-N-[[4-(difluoromethyl)phenyl]methyl]-2-fluoroaniline is Fc1c(Cl)cccc1NCc1ccc(C(F)F)cc1.
What is the InChIKey of 3-chloro-N-[[4-(difluoromethyl)phenyl]methyl]-2-fluoroaniline?
The InChIKey is MDLJZSWYUIOLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N/c15-11-2-1-3-12(13(11)16)19-8-9-4-6-10(7-5-9)14(17)18/h1-7,14,19H,8H2.
What are the key properties of 3-chloro-N-[[4-(difluoromethyl)phenyl]methyl]-2-fluoroaniline?
3-chloro-N-[[4-(difluoromethyl)phenyl]methyl]-2-fluoroaniline has a molecular weight of 285.70 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-(difluoromethyl)phenyl]methyl]-2-fluoroaniline is sourced from PubChem (CID 115523563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).