N-[3-(2,2-difluoroethoxy)propyl]cycloheptanamine

C12H23F2NO — CID 103208030

IUPACN-[3-(2,2-difluoroethoxy)propyl]cycloheptanamine
SMILESFC(F)COCCCNC1CCCCCC1
InChIInChI=1S/C12H23F2NO/c13-12(14)10-16-9-5-8-15-11-6-3-1-2-4-7-11/h11-12,15H,1-10H2
InChIKeyGGAIPSLNTHDZOP-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.97
Rot. Bonds7

About N-[3-(2,2-difluoroethoxy)propyl]cycloheptanamine

N-[3-(2,2-difluoroethoxy)propyl]cycloheptanamine (PubChem CID 103208030) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is N-[3-(2,2-difluoroethoxy)propyl]cycloheptanamine.

Molecular Properties

Compound NameN-[3-(2,2-difluoroethoxy)propyl]cycloheptanamine
PubChem CID103208030
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC NameN-[3-(2,2-difluoroethoxy)propyl]cycloheptanamine
SMILESFC(F)COCCCNC1CCCCCC1
InChIInChI=1S/C12H23F2NO/c13-12(14)10-16-9-5-8-15-11-6-3-1-2-4-7-11/h11-12,15H,1-10H2
InChIKeyGGAIPSLNTHDZOP-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-difluoroethoxy)propyl]cycloheptanamine?
The IUPAC name of N-[3-(2,2-difluoroethoxy)propyl]cycloheptanamine (CID 103208030) is N-[3-(2,2-difluoroethoxy)propyl]cycloheptanamine.
What is the SMILES notation for N-[3-(2,2-difluoroethoxy)propyl]cycloheptanamine?
The canonical SMILES for N-[3-(2,2-difluoroethoxy)propyl]cycloheptanamine is FC(F)COCCCNC1CCCCCC1.
What is the InChIKey of N-[3-(2,2-difluoroethoxy)propyl]cycloheptanamine?
The InChIKey is GGAIPSLNTHDZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c13-12(14)10-16-9-5-8-15-11-6-3-1-2-4-7-11/h11-12,15H,1-10H2.
What are the key properties of N-[3-(2,2-difluoroethoxy)propyl]cycloheptanamine?
N-[3-(2,2-difluoroethoxy)propyl]cycloheptanamine has a molecular weight of 235.32 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-difluoroethoxy)propyl]cycloheptanamine is sourced from PubChem (CID 103208030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).