4-(trifluoromethoxy)cyclohex-3-en-1-amine

C7H10F3NO — CID 89154044

IUPAC4-(trifluoromethoxy)cyclohex-3-en-1-amine
SMILESNC1CC=C(OC(F)(F)F)CC1
InChIInChI=1S/C7H10F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h3,5H,1-2,4,11H2
InChIKeyHQHJYVPRNRTMJL-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.92
Rot. Bonds1

About 4-(trifluoromethoxy)cyclohex-3-en-1-amine

4-(trifluoromethoxy)cyclohex-3-en-1-amine (PubChem CID 89154044) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 4-(trifluoromethoxy)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-(trifluoromethoxy)cyclohex-3-en-1-amine
PubChem CID89154044
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name4-(trifluoromethoxy)cyclohex-3-en-1-amine
SMILESNC1CC=C(OC(F)(F)F)CC1
InChIInChI=1S/C7H10F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h3,5H,1-2,4,11H2
InChIKeyHQHJYVPRNRTMJL-UHFFFAOYSA-N
XLogP1.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)cyclohex-3-en-1-amine?
The IUPAC name of 4-(trifluoromethoxy)cyclohex-3-en-1-amine (CID 89154044) is 4-(trifluoromethoxy)cyclohex-3-en-1-amine.
What is the SMILES notation for 4-(trifluoromethoxy)cyclohex-3-en-1-amine?
The canonical SMILES for 4-(trifluoromethoxy)cyclohex-3-en-1-amine is NC1CC=C(OC(F)(F)F)CC1.
What is the InChIKey of 4-(trifluoromethoxy)cyclohex-3-en-1-amine?
The InChIKey is HQHJYVPRNRTMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h3,5H,1-2,4,11H2.
What are the key properties of 4-(trifluoromethoxy)cyclohex-3-en-1-amine?
4-(trifluoromethoxy)cyclohex-3-en-1-amine has a molecular weight of 181.16 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)cyclohex-3-en-1-amine is sourced from PubChem (CID 89154044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).