1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride

C11H13ClF3NO — CID 129033013

IUPAC1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2ccccc2OC(F)(F)F)CCC1
InChIInChI=1S/C11H12F3NO.ClH/c12-11(13,14)16-9-5-2-1-4-8(9)10(15)6-3-7-10;/h1-2,4-5H,3,6-7,15H2;1H
InChIKeyVTLLAZHMLIHAMV-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.34
Rot. Bonds2

About 1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride

1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride (PubChem CID 129033013) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride
PubChem CID129033013
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2ccccc2OC(F)(F)F)CCC1
InChIInChI=1S/C11H12F3NO.ClH/c12-11(13,14)16-9-5-2-1-4-8(9)10(15)6-3-7-10;/h1-2,4-5H,3,6-7,15H2;1H
InChIKeyVTLLAZHMLIHAMV-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine
CID 80706187
1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 55115980
1-[2-(trifluoromethoxy)phenyl]cycloheptan-1-ol
CID 62789057
1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride
CID 129032986
1-[2-(1-methoxyethyl)phenyl]cyclobutan-1-amine
CID 117112865
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CID 159463673
1-[2-(trifluoromethoxy)phenyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856640
2-methyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 65050039
1-[2-(difluoromethoxy)phenyl]cyclopropan-1-amine
CID 95732347
1-[2-(fluoromethyl)-3-methoxyphenyl]cyclohexan-1-amine
CID 117347338
2-(trifluoromethoxy)aniline;dihydrochloride
CID 69022411
O-[2-(trifluoromethoxy)phenyl]hydroxylamine;hydrochloride
CID 162421871

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride (CID 129033013) is 1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride is Cl.NC1(c2ccccc2OC(F)(F)F)CCC1.
What is the InChIKey of 1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride?
The InChIKey is VTLLAZHMLIHAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO.ClH/c12-11(13,14)16-9-5-2-1-4-8(9)10(15)6-3-7-10;/h1-2,4-5H,3,6-7,15H2;1H.
What are the key properties of 1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride?
1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride has a molecular weight of 267.68 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 129033013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).