2-(2-chloro-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine

C9H8ClF4N — CID 79560259

IUPAC2-(2-chloro-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(c1c(F)cccc1Cl)C(F)(F)F
InChIInChI=1S/C9H8ClF4N/c10-6-2-1-3-7(11)8(6)5(4-15)9(12,13)14/h1-3,5H,4,15H2
InChIKeyVHVKCQSDTVTDNL-UHFFFAOYSA-N
MW241.62 g/mol
LogP3.08
Rot. Bonds2

About 2-(2-chloro-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine

2-(2-chloro-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 79560259) has the molecular formula C9H8ClF4N and a molecular weight of 241.62 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine
PubChem CID79560259
Molecular FormulaC9H8ClF4N
Molecular Weight241.62 g/mol
Exact Mass241.03
IUPAC Name2-(2-chloro-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(c1c(F)cccc1Cl)C(F)(F)F
InChIInChI=1S/C9H8ClF4N/c10-6-2-1-3-7(11)8(6)5(4-15)9(12,13)14/h1-3,5H,4,15H2
InChIKeyVHVKCQSDTVTDNL-UHFFFAOYSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.62
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-chloro-6-fluorophenyl)-2,2,2-trifluoroethanol
CID 130512088
2-[1-(2-chloro-6-fluorophenyl)ethyl]propane-1,3-diamine
CID 83925233
(1R,3S)-3-amino-1-(2-chloro-6-fluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171236880
(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
CID 124707714
(1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine
CID 131585694
(1R,3S)-3-amino-1-(2-chloro-6-fluorophenyl)-4,4,4-trifluorobutan-1-ol;hydrochloride
CID 171236881
(1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171200162
1-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378133
(3S)-3-amino-3-(2-chloro-6-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171246333
1-(2-chloro-6-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066046
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 16789934

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine (CID 79560259) is 2-(2-chloro-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine is NCC(c1c(F)cccc1Cl)C(F)(F)F.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is VHVKCQSDTVTDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF4N/c10-6-2-1-3-7(11)8(6)5(4-15)9(12,13)14/h1-3,5H,4,15H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine?
2-(2-chloro-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 241.62 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 79560259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).