2,2-dimethyl-1-N-[2-(trifluoromethyl)-4-pyridinyl]cyclobutane-1,3-diamine

C12H16F3N3 — CID 114270222

IUPAC2,2-dimethyl-1-N-[2-(trifluoromethyl)-4-pyridinyl]cyclobutane-1,3-diamine
SMILESCC1(C)C(N)CC1Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3N3/c1-11(2)8(16)6-9(11)18-7-3-4-17-10(5-7)12(13,14)15/h3-5,8-9H,6,16H2,1-2H3,(H,17,18)
InChIKeyDLHZUKUHFDJBEP-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.64
Rot. Bonds2

About 2,2-dimethyl-1-N-[2-(trifluoromethyl)-4-pyridinyl]cyclobutane-1,3-diamine

2,2-dimethyl-1-N-[2-(trifluoromethyl)-4-pyridinyl]cyclobutane-1,3-diamine (PubChem CID 114270222) has the molecular formula C12H16F3N3 and a molecular weight of 259.28 g/mol. Its IUPAC name is 2,2-dimethyl-1-N-[2-(trifluoromethyl)-4-pyridinyl]cyclobutane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-1-N-[2-(trifluoromethyl)-4-pyridinyl]cyclobutane-1,3-diamine
PubChem CID114270222
Molecular FormulaC12H16F3N3
Molecular Weight259.28 g/mol
Exact Mass259.13
IUPAC Name2,2-dimethyl-1-N-[2-(trifluoromethyl)-4-pyridinyl]cyclobutane-1,3-diamine
SMILESCC1(C)C(N)CC1Nc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C12H16F3N3/c1-11(2)8(16)6-9(11)18-7-3-4-17-10(5-7)12(13,14)15/h3-5,8-9H,6,16H2,1-2H3,(H,17,18)
InChIKeyDLHZUKUHFDJBEP-UHFFFAOYSA-N
XLogP2.64
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-N-[2-(trifluoromethyl)-4-pyridinyl]cyclobutane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-1-N-[2-(trifluoromethyl)-4-pyridinyl]cyclobutane-1,3-diamine (CID 114270222) is 2,2-dimethyl-1-N-[2-(trifluoromethyl)-4-pyridinyl]cyclobutane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-1-N-[2-(trifluoromethyl)-4-pyridinyl]cyclobutane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-1-N-[2-(trifluoromethyl)-4-pyridinyl]cyclobutane-1,3-diamine is CC1(C)C(N)CC1Nc1ccnc(C(F)(F)F)c1.
What is the InChIKey of 2,2-dimethyl-1-N-[2-(trifluoromethyl)-4-pyridinyl]cyclobutane-1,3-diamine?
The InChIKey is DLHZUKUHFDJBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c1-11(2)8(16)6-9(11)18-7-3-4-17-10(5-7)12(13,14)15/h3-5,8-9H,6,16H2,1-2H3,(H,17,18).
What are the key properties of 2,2-dimethyl-1-N-[2-(trifluoromethyl)-4-pyridinyl]cyclobutane-1,3-diamine?
2,2-dimethyl-1-N-[2-(trifluoromethyl)-4-pyridinyl]cyclobutane-1,3-diamine has a molecular weight of 259.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-N-[2-(trifluoromethyl)-4-pyridinyl]cyclobutane-1,3-diamine is sourced from PubChem (CID 114270222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).