2-(3,3-difluorocyclohexyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine

C15H27F2N — CID 114224970

IUPAC2-(3,3-difluorocyclohexyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine
SMILESCCNC(CC1CCCC(F)(F)C1)C1CC1(C)C
InChIInChI=1S/C15H27F2N/c1-4-18-13(12-10-14(12,2)3)8-11-6-5-7-15(16,17)9-11/h11-13,18H,4-10H2,1-3H3
InChIKeyPFXVTACHNVWBKG-UHFFFAOYSA-N
MW259.38 g/mol
LogP4.23
Rot. Bonds5

About 2-(3,3-difluorocyclohexyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine

2-(3,3-difluorocyclohexyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine (PubChem CID 114224970) has the molecular formula C15H27F2N and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine
PubChem CID114224970
Molecular FormulaC15H27F2N
Molecular Weight259.38 g/mol
Exact Mass259.21
IUPAC Name2-(3,3-difluorocyclohexyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine
SMILESCCNC(CC1CCCC(F)(F)C1)C1CC1(C)C
InChIInChI=1S/C15H27F2N/c1-4-18-13(12-10-14(12,2)3)8-11-6-5-7-15(16,17)9-11/h11-13,18H,4-10H2,1-3H3
InChIKeyPFXVTACHNVWBKG-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine (CID 114224970) is 2-(3,3-difluorocyclohexyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine is CCNC(CC1CCCC(F)(F)C1)C1CC1(C)C.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine?
The InChIKey is PFXVTACHNVWBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N/c1-4-18-13(12-10-14(12,2)3)8-11-6-5-7-15(16,17)9-11/h11-13,18H,4-10H2,1-3H3.
What are the key properties of 2-(3,3-difluorocyclohexyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine?
2-(3,3-difluorocyclohexyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine has a molecular weight of 259.38 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine is sourced from PubChem (CID 114224970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).