3-cycloheptyl-3-(difluoromethoxy)propan-1-amine

C11H21F2NO — CID 84724791

IUPAC3-cycloheptyl-3-(difluoromethoxy)propan-1-amine
SMILESNCCC(OC(F)F)C1CCCCCC1
InChIInChI=1S/C11H21F2NO/c12-11(13)15-10(7-8-14)9-5-3-1-2-4-6-9/h9-11H,1-8,14H2
InChIKeyYTSJUBPBLWVLNP-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.91
Rot. Bonds5

About 3-cycloheptyl-3-(difluoromethoxy)propan-1-amine

3-cycloheptyl-3-(difluoromethoxy)propan-1-amine (PubChem CID 84724791) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 3-cycloheptyl-3-(difluoromethoxy)propan-1-amine.

Molecular Properties

Compound Name3-cycloheptyl-3-(difluoromethoxy)propan-1-amine
PubChem CID84724791
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name3-cycloheptyl-3-(difluoromethoxy)propan-1-amine
SMILESNCCC(OC(F)F)C1CCCCCC1
InChIInChI=1S/C11H21F2NO/c12-11(13)15-10(7-8-14)9-5-3-1-2-4-6-9/h9-11H,1-8,14H2
InChIKeyYTSJUBPBLWVLNP-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cycloheptyl-3-(difluoromethoxy)propan-1-amine?
The IUPAC name of 3-cycloheptyl-3-(difluoromethoxy)propan-1-amine (CID 84724791) is 3-cycloheptyl-3-(difluoromethoxy)propan-1-amine.
What is the SMILES notation for 3-cycloheptyl-3-(difluoromethoxy)propan-1-amine?
The canonical SMILES for 3-cycloheptyl-3-(difluoromethoxy)propan-1-amine is NCCC(OC(F)F)C1CCCCCC1.
What is the InChIKey of 3-cycloheptyl-3-(difluoromethoxy)propan-1-amine?
The InChIKey is YTSJUBPBLWVLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c12-11(13)15-10(7-8-14)9-5-3-1-2-4-6-9/h9-11H,1-8,14H2.
What are the key properties of 3-cycloheptyl-3-(difluoromethoxy)propan-1-amine?
3-cycloheptyl-3-(difluoromethoxy)propan-1-amine has a molecular weight of 221.29 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyl-3-(difluoromethoxy)propan-1-amine is sourced from PubChem (CID 84724791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).