4-(trifluoromethoxy)cyclohexan-1-amine;hydrochloride

C7H13ClF3NO — CID 139035590

IUPAC4-(trifluoromethoxy)cyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C7H12F3NO.ClH/c8-7(9,10)12-6-3-1-5(11)2-4-6;/h5-6H,1-4,11H2;1H
InChIKeyWAZCBQKTVGISDU-UHFFFAOYSA-N
MW219.63 g/mol
LogP2.21
Rot. Bonds1

About 4-(trifluoromethoxy)cyclohexan-1-amine;hydrochloride

4-(trifluoromethoxy)cyclohexan-1-amine;hydrochloride (PubChem CID 139035590) has the molecular formula C7H13ClF3NO and a molecular weight of 219.63 g/mol. Its IUPAC name is 4-(trifluoromethoxy)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4-(trifluoromethoxy)cyclohexan-1-amine;hydrochloride
PubChem CID139035590
Molecular FormulaC7H13ClF3NO
Molecular Weight219.63 g/mol
Exact Mass219.06
IUPAC Name4-(trifluoromethoxy)cyclohexan-1-amine;hydrochloride
SMILESCl.NC1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C7H12F3NO.ClH/c8-7(9,10)12-6-3-1-5(11)2-4-6;/h5-6H,1-4,11H2;1H
InChIKeyWAZCBQKTVGISDU-UHFFFAOYSA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.63
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)cyclohexan-1-amine;hydrochloride?
The IUPAC name of 4-(trifluoromethoxy)cyclohexan-1-amine;hydrochloride (CID 139035590) is 4-(trifluoromethoxy)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 4-(trifluoromethoxy)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 4-(trifluoromethoxy)cyclohexan-1-amine;hydrochloride is Cl.NC1CCC(OC(F)(F)F)CC1.
What is the InChIKey of 4-(trifluoromethoxy)cyclohexan-1-amine;hydrochloride?
The InChIKey is WAZCBQKTVGISDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO.ClH/c8-7(9,10)12-6-3-1-5(11)2-4-6;/h5-6H,1-4,11H2;1H.
What are the key properties of 4-(trifluoromethoxy)cyclohexan-1-amine;hydrochloride?
4-(trifluoromethoxy)cyclohexan-1-amine;hydrochloride has a molecular weight of 219.63 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 139035590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).