1-(2,4-difluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine

C11H9F8N — CID 103311785

IUPAC1-(2,4-difluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
SMILESNC(Cc1ccc(F)cc1F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H9F8N/c12-6-2-1-5(7(13)4-6)3-8(20)9(10(14,15)16)11(17,18)19/h1-2,4,8-9H,3,20H2
InChIKeyBPGCVLBVBDNGJA-UHFFFAOYSA-N
MW307.18 g/mol
LogP3.58
Rot. Bonds3

About 1-(2,4-difluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine

1-(2,4-difluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine (PubChem CID 103311785) has the molecular formula C11H9F8N and a molecular weight of 307.18 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
PubChem CID103311785
Molecular FormulaC11H9F8N
Molecular Weight307.18 g/mol
Exact Mass307.06
IUPAC Name1-(2,4-difluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
SMILESNC(Cc1ccc(F)cc1F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H9F8N/c12-6-2-1-5(7(13)4-6)3-8(20)9(10(14,15)16)11(17,18)19/h1-2,4,8-9H,3,20H2
InChIKeyBPGCVLBVBDNGJA-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-fluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312379
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 62962606
1-(2,4-difluorophenyl)-3,3-dimethylbutan-2-amine
CID 62195909
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
1-(2,4-difluorophenyl)-3-methoxypentan-2-amine
CID 116715118
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanamine
CID 64560038
1-(2,4-difluorophenyl)-4-phenylbutan-2-amine
CID 62196088
2-(2,4-difluorophenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 64559658
1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine
CID 55152610
1-(2,4-difluorophenyl)propane-2-sulfonamide
CID 172765105
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine (CID 103311785) is 1-(2,4-difluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine is NC(Cc1ccc(F)cc1F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(2,4-difluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine?
The InChIKey is BPGCVLBVBDNGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F8N/c12-6-2-1-5(7(13)4-6)3-8(20)9(10(14,15)16)11(17,18)19/h1-2,4,8-9H,3,20H2.
What are the key properties of 1-(2,4-difluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine?
1-(2,4-difluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine has a molecular weight of 307.18 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine is sourced from PubChem (CID 103311785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).