2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline

C10H7F4N — CID 63036318

IUPAC2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline
SMILESC#CCNc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C10H7F4N/c1-2-5-15-9-6-7(10(12,13)14)3-4-8(9)11/h1,3-4,6,15H,5H2
InChIKeyPELISUBCFGFXSC-UHFFFAOYSA-N
MW217.16 g/mol
LogP2.89
Rot. Bonds2

About 2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline

2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline (PubChem CID 63036318) has the molecular formula C10H7F4N and a molecular weight of 217.16 g/mol. Its IUPAC name is 2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline
PubChem CID63036318
Molecular FormulaC10H7F4N
Molecular Weight217.16 g/mol
Exact Mass217.05
IUPAC Name2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline
SMILESC#CCNc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C10H7F4N/c1-2-5-15-9-6-7(10(12,13)14)3-4-8(9)11/h1,3-4,6,15H,5H2
InChIKeyPELISUBCFGFXSC-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.16
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63037190
N-(2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63462098
4-chloro-N-prop-2-ynyl-2-(trifluoromethyl)aniline
CID 62140302
N-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63462426
N-(2-bromoprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63036495
4-[2-fluoro-5-(trifluoromethyl)anilino]butan-1-ol
CID 63036135
N-(2-chloroprop-2-enyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63036670
2-fluoro-N-[(2-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 63036121
N-[(3,4-dimethylphenyl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63463408
1-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
CID 65210798
2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)aniline
CID 82886090
N-prop-2-ynyl-4-(trifluoromethyl)pyridin-2-amine
CID 45158546

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline?
The IUPAC name of 2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline (CID 63036318) is 2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline is C#CCNc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline?
The InChIKey is PELISUBCFGFXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4N/c1-2-5-15-9-6-7(10(12,13)14)3-4-8(9)11/h1,3-4,6,15H,5H2.
What are the key properties of 2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline?
2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline has a molecular weight of 217.16 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 63036318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).