1-[6-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-amine;hydrochloride

C10H12ClF3N2 — CID 155978324

IUPAC1-[6-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2ccc(C(F)(F)F)nc2)CCC1
InChIInChI=1S/C10H11F3N2.ClH/c11-10(12,13)8-3-2-7(6-15-8)9(14)4-1-5-9;/h2-3,6H,1,4-5,14H2;1H
InChIKeyHXQGEQKBHRVCHU-UHFFFAOYSA-N
MW252.67 g/mol
LogP2.86
Rot. Bonds1

About 1-[6-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-amine;hydrochloride

1-[6-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-amine;hydrochloride (PubChem CID 155978324) has the molecular formula C10H12ClF3N2 and a molecular weight of 252.67 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-amine;hydrochloride
PubChem CID155978324
Molecular FormulaC10H12ClF3N2
Molecular Weight252.67 g/mol
Exact Mass252.06
IUPAC Name1-[6-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2ccc(C(F)(F)F)nc2)CCC1
InChIInChI=1S/C10H11F3N2.ClH/c11-10(12,13)8-3-2-7(6-15-8)9(14)4-1-5-9;/h2-3,6H,1,4-5,14H2;1H
InChIKeyHXQGEQKBHRVCHU-UHFFFAOYSA-N
XLogP2.86
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.67
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]methanol
CID 117104583
1-[3-chloro-5-[6-(trifluoromethyl)-3-pyridinyl]phenyl]cyclopropan-1-amine;hydrochloride
CID 122685751
1-(6-fluoro-3-pyridinyl)cyclopropan-1-amine;hydrochloride
CID 132988170
1-(6-methyl-3-pyridinyl)cycloheptan-1-amine
CID 63155403
1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride
CID 129032986
(E)-4-oxo-4-[1-[6-(trifluoromethyl)-3-pyridinyl]cyclobutyl]oxybut-2-enoic acid
CID 162734107
5-cyclobutyl-2-(trifluoromethyl)pyridine
CID 167467785
1-[4-[bromo(difluoro)methyl]pyrimidin-2-yl]cyclobutan-1-amine;hydrochloride
CID 139018289
1-pyridin-4-ylcyclobutan-1-amine;dihydrochloride
CID 131870742
5-cyclohexyl-2-(trifluoromethyl)pyridine
CID 138976575
3-[6-(trifluoromethyl)-3-pyridinyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171954541
9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171954546

Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[6-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-amine;hydrochloride (CID 155978324) is 1-[6-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[6-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[6-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-amine;hydrochloride is Cl.NC1(c2ccc(C(F)(F)F)nc2)CCC1.
What is the InChIKey of 1-[6-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-amine;hydrochloride?
The InChIKey is HXQGEQKBHRVCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2.ClH/c11-10(12,13)8-3-2-7(6-15-8)9(14)4-1-5-9;/h2-3,6H,1,4-5,14H2;1H.
What are the key properties of 1-[6-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-amine;hydrochloride?
1-[6-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-amine;hydrochloride has a molecular weight of 252.67 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 155978324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).