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

C11H13ClF3NO — CID 129032986

IUPAC1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2ccc(OC(F)(F)F)cc2)CCC1
InChIInChI=1S/C11H12F3NO.ClH/c12-11(13,14)16-9-4-2-8(3-5-9)10(15)6-1-7-10;/h2-5H,1,6-7,15H2;1H
InChIKeySUZXMHZWVPRYBC-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.34
Rot. Bonds2

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

1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride (PubChem CID 129032986) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride
PubChem CID129032986
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2ccc(OC(F)(F)F)cc2)CCC1
InChIInChI=1S/C11H12F3NO.ClH/c12-11(13,14)16-9-4-2-8(3-5-9)10(15)6-1-7-10;/h2-5H,1,6-7,15H2;1H
InChIKeySUZXMHZWVPRYBC-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-[4-(trifluoromethoxy)phenyl]oxetan-3-amine;hydrochloride
CID 134828084
1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-ol
CID 130058643
1-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride
CID 129033013
1-[3-[3-(trifluoromethoxy)phenyl]phenyl]cyclopropan-1-amine;hydrochloride
CID 167713453
N-[1-[4-(trifluoromethoxy)phenyl]cyclopropyl]formamide
CID 134332225
2-amino-6-hydroxy-2-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one
CID 155757621
(S)-[(1S,2S)-2-aminocyclopentyl]-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol
CID 71522264
1-[6-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-amine;hydrochloride
CID 155978324
pyrimidin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol
CID 56653029
[1-[[4-(trifluoromethoxy)phenyl]methoxy]cyclopentyl]methanamine
CID 65051034
(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116598545
4-methyl-4-[4-(trifluoromethoxy)phenyl]cyclohexan-1-one
CID 142618374

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride (CID 129032986) is 1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride is Cl.NC1(c2ccc(OC(F)(F)F)cc2)CCC1.
What is the InChIKey of 1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride?
The InChIKey is SUZXMHZWVPRYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO.ClH/c12-11(13,14)16-9-4-2-8(3-5-9)10(15)6-1-7-10;/h2-5H,1,6-7,15H2;1H.
What are the key properties of 1-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride?
1-[4-(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-[4-(trifluoromethoxy)phenyl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 129032986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).