N-ethyl-1-(trifluoromethyl)cycloheptan-1-amine

C10H18F3N — CID 66206789

IUPACN-ethyl-1-(trifluoromethyl)cycloheptan-1-amine
SMILESCCNC1(C(F)(F)F)CCCCCC1
InChIInChI=1S/C10H18F3N/c1-2-14-9(10(11,12)13)7-5-3-4-6-8-9/h14H,2-8H2,1H3
InChIKeyALODUTDJJXRPEQ-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.25
Rot. Bonds2

About N-ethyl-1-(trifluoromethyl)cycloheptan-1-amine

N-ethyl-1-(trifluoromethyl)cycloheptan-1-amine (PubChem CID 66206789) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is N-ethyl-1-(trifluoromethyl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(trifluoromethyl)cycloheptan-1-amine
PubChem CID66206789
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC NameN-ethyl-1-(trifluoromethyl)cycloheptan-1-amine
SMILESCCNC1(C(F)(F)F)CCCCCC1
InChIInChI=1S/C10H18F3N/c1-2-14-9(10(11,12)13)7-5-3-4-6-8-9/h14H,2-8H2,1H3
InChIKeyALODUTDJJXRPEQ-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(trifluoromethyl)cycloheptan-1-amine?
The IUPAC name of N-ethyl-1-(trifluoromethyl)cycloheptan-1-amine (CID 66206789) is N-ethyl-1-(trifluoromethyl)cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-1-(trifluoromethyl)cycloheptan-1-amine?
The canonical SMILES for N-ethyl-1-(trifluoromethyl)cycloheptan-1-amine is CCNC1(C(F)(F)F)CCCCCC1.
What is the InChIKey of N-ethyl-1-(trifluoromethyl)cycloheptan-1-amine?
The InChIKey is ALODUTDJJXRPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-2-14-9(10(11,12)13)7-5-3-4-6-8-9/h14H,2-8H2,1H3.
What are the key properties of N-ethyl-1-(trifluoromethyl)cycloheptan-1-amine?
N-ethyl-1-(trifluoromethyl)cycloheptan-1-amine has a molecular weight of 209.25 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(trifluoromethyl)cycloheptan-1-amine is sourced from PubChem (CID 66206789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).