3-[4-(trifluoromethoxy)phenyl]oxetan-3-amine;hydrochloride

C10H11ClF3NO2 — CID 134828084

IUPAC3-[4-(trifluoromethoxy)phenyl]oxetan-3-amine;hydrochloride
SMILESCl.NC1(c2ccc(OC(F)(F)F)cc2)COC1
InChIInChI=1S/C10H10F3NO2.ClH/c11-10(12,13)16-8-3-1-7(2-4-8)9(14)5-15-6-9;/h1-4H,5-6,14H2;1H
InChIKeySEPFWMSEBKISMI-UHFFFAOYSA-N
MW269.65 g/mol
LogP2.19
Rot. Bonds2

About 3-[4-(trifluoromethoxy)phenyl]oxetan-3-amine;hydrochloride

3-[4-(trifluoromethoxy)phenyl]oxetan-3-amine;hydrochloride (PubChem CID 134828084) has the molecular formula C10H11ClF3NO2 and a molecular weight of 269.65 g/mol. Its IUPAC name is 3-[4-(trifluoromethoxy)phenyl]oxetan-3-amine;hydrochloride.

Molecular Properties

Compound Name3-[4-(trifluoromethoxy)phenyl]oxetan-3-amine;hydrochloride
PubChem CID134828084
Molecular FormulaC10H11ClF3NO2
Molecular Weight269.65 g/mol
Exact Mass269.04
IUPAC Name3-[4-(trifluoromethoxy)phenyl]oxetan-3-amine;hydrochloride
SMILESCl.NC1(c2ccc(OC(F)(F)F)cc2)COC1
InChIInChI=1S/C10H10F3NO2.ClH/c11-10(12,13)16-8-3-1-7(2-4-8)9(14)5-15-6-9;/h1-4H,5-6,14H2;1H
InChIKeySEPFWMSEBKISMI-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.65
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride
CID 129032986
3-[3-(trifluoromethoxy)phenyl]oxetan-3-amine
CID 112707082
1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-ol
CID 130058643
1-[3-[3-(trifluoromethoxy)phenyl]phenyl]cyclopropan-1-amine;hydrochloride
CID 167713453
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
CID 23625072
[4-(trifluoromethoxy)phenyl]phosphane;hydrochloride
CID 171933025
trans-(1R,2R)-1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride
CID 118483897
3-[4-(difluoromethoxy)phenyl]oxan-3-amine
CID 154814534
1-ethyl-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine;hydrochloride
CID 118483898
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
3-[4-(trifluoromethoxy)phenoxy]cyclobutan-1-amine;hydrochloride
CID 167609158

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethoxy)phenyl]oxetan-3-amine;hydrochloride?
The IUPAC name of 3-[4-(trifluoromethoxy)phenyl]oxetan-3-amine;hydrochloride (CID 134828084) is 3-[4-(trifluoromethoxy)phenyl]oxetan-3-amine;hydrochloride.
What is the SMILES notation for 3-[4-(trifluoromethoxy)phenyl]oxetan-3-amine;hydrochloride?
The canonical SMILES for 3-[4-(trifluoromethoxy)phenyl]oxetan-3-amine;hydrochloride is Cl.NC1(c2ccc(OC(F)(F)F)cc2)COC1.
What is the InChIKey of 3-[4-(trifluoromethoxy)phenyl]oxetan-3-amine;hydrochloride?
The InChIKey is SEPFWMSEBKISMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO2.ClH/c11-10(12,13)16-8-3-1-7(2-4-8)9(14)5-15-6-9;/h1-4H,5-6,14H2;1H.
What are the key properties of 3-[4-(trifluoromethoxy)phenyl]oxetan-3-amine;hydrochloride?
3-[4-(trifluoromethoxy)phenyl]oxetan-3-amine;hydrochloride has a molecular weight of 269.65 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethoxy)phenyl]oxetan-3-amine;hydrochloride is sourced from PubChem (CID 134828084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).