N-[7,7,7-trifluoro-6-(trifluoromethyl)heptan-2-yl]cyclopropanamine

C11H17F6N — CID 121451135

IUPACN-[7,7,7-trifluoro-6-(trifluoromethyl)heptan-2-yl]cyclopropanamine
SMILESCC(CCCC(C(F)(F)F)C(F)(F)F)NC1CC1
InChIInChI=1S/C11H17F6N/c1-7(18-8-5-6-8)3-2-4-9(10(12,13)14)11(15,16)17/h7-9,18H,2-6H2,1H3
InChIKeyRRQNFRDTWDLACM-UHFFFAOYSA-N
MW277.25 g/mol
LogP4.04
Rot. Bonds6

About N-[7,7,7-trifluoro-6-(trifluoromethyl)heptan-2-yl]cyclopropanamine

N-[7,7,7-trifluoro-6-(trifluoromethyl)heptan-2-yl]cyclopropanamine (PubChem CID 121451135) has the molecular formula C11H17F6N and a molecular weight of 277.25 g/mol. Its IUPAC name is N-[7,7,7-trifluoro-6-(trifluoromethyl)heptan-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-[7,7,7-trifluoro-6-(trifluoromethyl)heptan-2-yl]cyclopropanamine
PubChem CID121451135
Molecular FormulaC11H17F6N
Molecular Weight277.25 g/mol
Exact Mass277.13
IUPAC NameN-[7,7,7-trifluoro-6-(trifluoromethyl)heptan-2-yl]cyclopropanamine
SMILESCC(CCCC(C(F)(F)F)C(F)(F)F)NC1CC1
InChIInChI=1S/C11H17F6N/c1-7(18-8-5-6-8)3-2-4-9(10(12,13)14)11(15,16)17/h7-9,18H,2-6H2,1H3
InChIKeyRRQNFRDTWDLACM-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[7,7,7-trifluoro-6-(trifluoromethyl)heptan-2-yl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[7,7,7-trifluoro-6-(trifluoromethyl)heptan-2-yl]cyclopropanamine?
The IUPAC name of N-[7,7,7-trifluoro-6-(trifluoromethyl)heptan-2-yl]cyclopropanamine (CID 121451135) is N-[7,7,7-trifluoro-6-(trifluoromethyl)heptan-2-yl]cyclopropanamine.
What is the SMILES notation for N-[7,7,7-trifluoro-6-(trifluoromethyl)heptan-2-yl]cyclopropanamine?
The canonical SMILES for N-[7,7,7-trifluoro-6-(trifluoromethyl)heptan-2-yl]cyclopropanamine is CC(CCCC(C(F)(F)F)C(F)(F)F)NC1CC1.
What is the InChIKey of N-[7,7,7-trifluoro-6-(trifluoromethyl)heptan-2-yl]cyclopropanamine?
The InChIKey is RRQNFRDTWDLACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6N/c1-7(18-8-5-6-8)3-2-4-9(10(12,13)14)11(15,16)17/h7-9,18H,2-6H2,1H3.
What are the key properties of N-[7,7,7-trifluoro-6-(trifluoromethyl)heptan-2-yl]cyclopropanamine?
N-[7,7,7-trifluoro-6-(trifluoromethyl)heptan-2-yl]cyclopropanamine has a molecular weight of 277.25 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7,7,7-trifluoro-6-(trifluoromethyl)heptan-2-yl]cyclopropanamine is sourced from PubChem (CID 121451135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).