4-chloro-N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)aniline

C12H10ClF3N2 — CID 66409588

IUPAC4-chloro-N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NCc2cc[nH]c2)ccc1Cl
InChIInChI=1S/C12H10ClF3N2/c13-11-2-1-9(5-10(11)12(14,15)16)18-7-8-3-4-17-6-8/h1-6,17-18H,7H2
InChIKeyTZZVYDOXKADHAQ-UHFFFAOYSA-N
MW274.67 g/mol
LogP4.30
Rot. Bonds3

About 4-chloro-N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)aniline

4-chloro-N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)aniline (PubChem CID 66409588) has the molecular formula C12H10ClF3N2 and a molecular weight of 274.67 g/mol. Its IUPAC name is 4-chloro-N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)aniline
PubChem CID66409588
Molecular FormulaC12H10ClF3N2
Molecular Weight274.67 g/mol
Exact Mass274.05
IUPAC Name4-chloro-N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cc(NCc2cc[nH]c2)ccc1Cl
InChIInChI=1S/C12H10ClF3N2/c13-11-2-1-9(5-10(11)12(14,15)16)18-7-8-3-4-17-6-8/h1-6,17-18H,7H2
InChIKeyTZZVYDOXKADHAQ-UHFFFAOYSA-N
XLogP4.30
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.67
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)aniline
CID 66410286
4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]benzonitrile
CID 43034901
3,4-difluoro-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66410010
4-chloro-N-[(3-fluoro-4-methylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 63645341
4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-2-fluorophenol
CID 107685350
2-chloro-N,N-dimethyl-5-(1H-pyrrol-3-ylmethylamino)benzamide
CID 66409168
4-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 114841520
N-[(4-chloro-3-fluorophenyl)methyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 63454905
4-chloro-N-[(2,3-dichlorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 43245776
4-chloro-N-[(2-ethylphenyl)methyl]-3-(trifluoromethyl)aniline
CID 63423431
3-chloro-4-propoxy-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66409189
4-chloro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)aniline
CID 103741987

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)aniline (CID 66409588) is 4-chloro-N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)aniline is FC(F)(F)c1cc(NCc2cc[nH]c2)ccc1Cl.
What is the InChIKey of 4-chloro-N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)aniline?
The InChIKey is TZZVYDOXKADHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF3N2/c13-11-2-1-9(5-10(11)12(14,15)16)18-7-8-3-4-17-6-8/h1-6,17-18H,7H2.
What are the key properties of 4-chloro-N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)aniline?
4-chloro-N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)aniline has a molecular weight of 274.67 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1H-pyrrol-3-ylmethyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 66409588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).