azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene

C11H14F3N — CID 66801661

IUPACazane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene
SMILESCC1(c2ccc(C(F)(F)F)cc2)CC1.N
InChIInChI=1S/C11H11F3.H3N/c1-10(6-7-10)8-2-4-9(5-3-8)11(12,13)14;/h2-5H,6-7H2,1H3;1H3
InChIKeyQBJMQMBWCUOSRA-UHFFFAOYSA-N
MW217.23 g/mol
LogP3.92
Rot. Bonds1

About azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene

azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene (PubChem CID 66801661) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Nameazane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene
PubChem CID66801661
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Nameazane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene
SMILESCC1(c2ccc(C(F)(F)F)cc2)CC1.N
InChIInChI=1S/C11H11F3.H3N/c1-10(6-7-10)8-2-4-9(5-3-8)11(12,13)14;/h2-5H,6-7H2,1H3;1H3
InChIKeyQBJMQMBWCUOSRA-UHFFFAOYSA-N
XLogP3.92
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene?
The IUPAC name of azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene (CID 66801661) is azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene is CC1(c2ccc(C(F)(F)F)cc2)CC1.N.
What is the InChIKey of azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene?
The InChIKey is QBJMQMBWCUOSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3.H3N/c1-10(6-7-10)8-2-4-9(5-3-8)11(12,13)14;/h2-5H,6-7H2,1H3;1H3.
What are the key properties of azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene?
azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene has a molecular weight of 217.23 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 66801661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).