N-(1,1,1-trifluoropropan-2-yl)bicyclo[3.1.0]hexan-6-amine

C9H14F3N — CID 130676467

IUPACN-(1,1,1-trifluoropropan-2-yl)bicyclo[3.1.0]hexan-6-amine
SMILESCC(NC1C2CCCC21)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-5(9(10,11)12)13-8-6-3-2-4-7(6)8/h5-8,13H,2-4H2,1H3
InChIKeyMOAHMXHMDSDRLE-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.33
Rot. Bonds2

About N-(1,1,1-trifluoropropan-2-yl)bicyclo[3.1.0]hexan-6-amine

N-(1,1,1-trifluoropropan-2-yl)bicyclo[3.1.0]hexan-6-amine (PubChem CID 130676467) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is N-(1,1,1-trifluoropropan-2-yl)bicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound NameN-(1,1,1-trifluoropropan-2-yl)bicyclo[3.1.0]hexan-6-amine
PubChem CID130676467
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC NameN-(1,1,1-trifluoropropan-2-yl)bicyclo[3.1.0]hexan-6-amine
SMILESCC(NC1C2CCCC21)C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-5(9(10,11)12)13-8-6-3-2-4-7(6)8/h5-8,13H,2-4H2,1H3
InChIKeyMOAHMXHMDSDRLE-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoropropan-2-yl)bicyclo[3.1.0]hexan-6-amine?
The IUPAC name of N-(1,1,1-trifluoropropan-2-yl)bicyclo[3.1.0]hexan-6-amine (CID 130676467) is N-(1,1,1-trifluoropropan-2-yl)bicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for N-(1,1,1-trifluoropropan-2-yl)bicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for N-(1,1,1-trifluoropropan-2-yl)bicyclo[3.1.0]hexan-6-amine is CC(NC1C2CCCC21)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoropropan-2-yl)bicyclo[3.1.0]hexan-6-amine?
The InChIKey is MOAHMXHMDSDRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c1-5(9(10,11)12)13-8-6-3-2-4-7(6)8/h5-8,13H,2-4H2,1H3.
What are the key properties of N-(1,1,1-trifluoropropan-2-yl)bicyclo[3.1.0]hexan-6-amine?
N-(1,1,1-trifluoropropan-2-yl)bicyclo[3.1.0]hexan-6-amine has a molecular weight of 193.21 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoropropan-2-yl)bicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 130676467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).