3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine

C12H13F7N2 — CID 103312287

IUPAC3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine
SMILESCCCNC(c1ccncc1F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H13F7N2/c1-2-4-21-9(7-3-5-20-6-8(7)13)10(11(14,15)16)12(17,18)19/h3,5-6,9-10,21H,2,4H2,1H3
InChIKeyFHJBZWJYAIQINF-UHFFFAOYSA-N
MW318.24 g/mol
LogP4.00
Rot. Bonds5

About 3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine

3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine (PubChem CID 103312287) has the molecular formula C12H13F7N2 and a molecular weight of 318.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine
PubChem CID103312287
Molecular FormulaC12H13F7N2
Molecular Weight318.24 g/mol
Exact Mass318.10
IUPAC Name3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine
SMILESCCCNC(c1ccncc1F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H13F7N2/c1-2-4-21-9(7-3-5-20-6-8(7)13)10(11(14,15)16)12(17,18)19/h3,5-6,9-10,21H,2,4H2,1H3
InChIKeyFHJBZWJYAIQINF-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluoro-4-pyridinyl)-2,2-dimethoxyethyl]propan-1-amine
CID 104738508
1-(3-fluoro-4-pyridinyl)-2-methyl-N-propylhexan-1-amine
CID 114246559
1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720684
3,3,3-trifluoro-N-propyl-1-pyrazin-2-yl-2-(trifluoromethyl)propan-1-amine
CID 103311965
N-[2-cyclopropyl-1-(3-fluoro-4-pyridinyl)-2-methoxyethyl]propan-1-amine
CID 116722908
N-[(3-fluoro-4-pyridinyl)-pyridin-4-ylmethyl]propan-1-amine
CID 113447223
N-[(3-fluoro-4-pyridinyl)-pyrimidin-2-ylmethyl]propan-1-amine
CID 113447225
N-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine
CID 105038095
N-[2-ethylsulfanyl-1-(3-fluoro-4-pyridinyl)ethyl]propan-1-amine
CID 104738270
N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
CID 105038327
N-[(5-chloro-2-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]propan-1-amine
CID 105038130
3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine
CID 104739416

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine (CID 103312287) is 3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine is CCCNC(c1ccncc1F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine?
The InChIKey is FHJBZWJYAIQINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F7N2/c1-2-4-21-9(7-3-5-20-6-8(7)13)10(11(14,15)16)12(17,18)19/h3,5-6,9-10,21H,2,4H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine?
3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine has a molecular weight of 318.24 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(3-fluoro-4-pyridinyl)-N-propyl-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103312287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).