2-(2,2-difluoroethoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine

C14H27F2NO — CID 82005051

IUPAC2-(2,2-difluoroethoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1OCC(F)F
InChIInChI=1S/C14H27F2NO/c1-4-7-17-12-6-5-11(10(2)3)8-13(12)18-9-14(15)16/h10-14,17H,4-9H2,1-3H3
InChIKeyOIBPXQJDSPNMDG-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.46
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine

2-(2,2-difluoroethoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine (PubChem CID 82005051) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine
PubChem CID82005051
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name2-(2,2-difluoroethoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1OCC(F)F
InChIInChI=1S/C14H27F2NO/c1-4-7-17-12-6-5-11(10(2)3)8-13(12)18-9-14(15)16/h10-14,17H,4-9H2,1-3H3
InChIKeyOIBPXQJDSPNMDG-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(2,2-difluoroethoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine (CID 82005051) is 2-(2,2-difluoroethoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine is CCCNC1CCC(C(C)C)CC1OCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine?
The InChIKey is OIBPXQJDSPNMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-4-7-17-12-6-5-11(10(2)3)8-13(12)18-9-14(15)16/h10-14,17H,4-9H2,1-3H3.
What are the key properties of 2-(2,2-difluoroethoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine?
2-(2,2-difluoroethoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine has a molecular weight of 263.37 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 82005051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).