N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine

C12H22F3NO — CID 66276948

IUPACN-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine
SMILESCCNC1CCCCCC1OC(C)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-3-16-10-7-5-4-6-8-11(10)17-9(2)12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyIWULTRBPSPTTAS-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.26
Rot. Bonds4

About N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine

N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine (PubChem CID 66276948) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine
PubChem CID66276948
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine
SMILESCCNC1CCCCCC1OC(C)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-3-16-10-7-5-4-6-8-11(10)17-9(2)12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyIWULTRBPSPTTAS-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine?
The IUPAC name of N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine (CID 66276948) is N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine.
What is the SMILES notation for N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine?
The canonical SMILES for N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine is CCNC1CCCCCC1OC(C)C(F)(F)F.
What is the InChIKey of N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine?
The InChIKey is IWULTRBPSPTTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-3-16-10-7-5-4-6-8-11(10)17-9(2)12(13,14)15/h9-11,16H,3-8H2,1-2H3.
What are the key properties of N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine?
N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine is sourced from PubChem (CID 66276948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).