3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine;hydrochloride

C11H13ClF3NO2 — CID 167609158

IUPAC3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1CC(Oc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C11H12F3NO2.ClH/c12-11(13,14)17-9-3-1-8(2-4-9)16-10-5-7(15)6-10;/h1-4,7,10H,5-6,15H2;1H
InChIKeyPMDJWKWMHDASHM-UHFFFAOYSA-N
MW283.68 g/mol
LogP2.88
Rot. Bonds3

About 3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine;hydrochloride

3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine;hydrochloride (PubChem CID 167609158) has the molecular formula C11H13ClF3NO2 and a molecular weight of 283.68 g/mol. Its IUPAC name is 3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine;hydrochloride
PubChem CID167609158
Molecular FormulaC11H13ClF3NO2
Molecular Weight283.68 g/mol
Exact Mass283.06
IUPAC Name3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1CC(Oc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C11H12F3NO2.ClH/c12-11(13,14)17-9-3-1-8(2-4-9)16-10-5-7(15)6-10;/h1-4,7,10H,5-6,15H2;1H
InChIKeyPMDJWKWMHDASHM-UHFFFAOYSA-N
XLogP2.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylcyclobutyl)oxy-4-(trifluoromethoxy)benzene
CID 167570136
2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine
CID 22619922
cis-(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine
CID 51888219
3-[4-(2,2-difluorocyclopropyl)phenoxy]cyclobutan-1-amine;hydrochloride
CID 167652175
3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]cyclobutan-1-amine
CID 146203808
3-pyridin-4-yloxycyclobutan-1-amine;hydrochloride
CID 167741506
3-[[5-(trifluoromethoxy)-2-pyridinyl]oxy]cyclopentan-1-amine
CID 114281028
2-propoxy-3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine
CID 107943861
3-[(6-fluoro-3-pyridinyl)oxy]cyclobutan-1-amine
CID 159440144
2-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]acetamide
CID 67524289
4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine
CID 18460866
1-[(3-aminocyclobutyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 115565176

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine;hydrochloride (CID 167609158) is 3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine;hydrochloride is Cl.NC1CC(Oc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of 3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine;hydrochloride?
The InChIKey is PMDJWKWMHDASHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2.ClH/c12-11(13,14)17-9-3-1-8(2-4-9)16-10-5-7(15)6-10;/h1-4,7,10H,5-6,15H2;1H.
What are the key properties of 3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine;hydrochloride?
3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine;hydrochloride has a molecular weight of 283.68 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 167609158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).