3-[(3,5-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine

C11H12Cl2F3N — CID 82534768

IUPAC3-[(3,5-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine
SMILESNCCC(Cc1cc(Cl)cc(Cl)c1)C(F)(F)F
InChIInChI=1S/C11H12Cl2F3N/c12-9-4-7(5-10(13)6-9)3-8(1-2-17)11(14,15)16/h4-6,8H,1-3,17H2
InChIKeyYQOJCCBOKSQVQJ-UHFFFAOYSA-N
MW286.12 g/mol
LogP4.06
Rot. Bonds4

About 3-[(3,5-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine

3-[(3,5-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine (PubChem CID 82534768) has the molecular formula C11H12Cl2F3N and a molecular weight of 286.12 g/mol. Its IUPAC name is 3-[(3,5-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-[(3,5-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine
PubChem CID82534768
Molecular FormulaC11H12Cl2F3N
Molecular Weight286.12 g/mol
Exact Mass285.03
IUPAC Name3-[(3,5-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine
SMILESNCCC(Cc1cc(Cl)cc(Cl)c1)C(F)(F)F
InChIInChI=1S/C11H12Cl2F3N/c12-9-4-7(5-10(13)6-9)3-8(1-2-17)11(14,15)16/h4-6,8H,1-3,17H2
InChIKeyYQOJCCBOKSQVQJ-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3,4-difluorophenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 82534793
3-[(2,6-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 82534770
2-[(3-chloro-4-fluorophenyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 82534338
3-[(2,3-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 82534769
2-(3,5-dichlorophenyl)ethanamine
CID 15670830
2-[(3-chlorophenyl)methyl]-3,3,3-trifluoropropan-1-ol
CID 115042879
5-(3,5-dichlorophenyl)pentan-1-amine
CID 158105939
3-[(4-chlorophenyl)methylsulfinyl]-4,4,4-trifluorobutan-1-amine
CID 114792903
1-(3,5-dichlorophenyl)butan-2-ol
CID 71163653
3-[(3-chloro-4-fluorophenyl)methyl]-4,4,4-trifluorobutanoic acid
CID 82534840
3-[3-chloro-5-(trifluoromethyl)phenyl]butan-1-amine
CID 117107346
1-[3-chloro-5-(trifluoromethoxy)phenyl]propan-2-amine
CID 170891292

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-[(3,5-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine (CID 82534768) is 3-[(3,5-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-[(3,5-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-[(3,5-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine is NCCC(Cc1cc(Cl)cc(Cl)c1)C(F)(F)F.
What is the InChIKey of 3-[(3,5-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine?
The InChIKey is YQOJCCBOKSQVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2F3N/c12-9-4-7(5-10(13)6-9)3-8(1-2-17)11(14,15)16/h4-6,8H,1-3,17H2.
What are the key properties of 3-[(3,5-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine?
3-[(3,5-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine has a molecular weight of 286.12 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 82534768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).