N-[1-cyclohexyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine

C14H26F3NO — CID 104749593

IUPACN-[1-cyclohexyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine
SMILESCCCNC(COC(C)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C14H26F3NO/c1-3-9-18-13(12-7-5-4-6-8-12)10-19-11(2)14(15,16)17/h11-13,18H,3-10H2,1-2H3
InChIKeyVPIWEHIYMHDKHY-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.90
Rot. Bonds7

About N-[1-cyclohexyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine

N-[1-cyclohexyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine (PubChem CID 104749593) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine
PubChem CID104749593
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC NameN-[1-cyclohexyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine
SMILESCCCNC(COC(C)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C14H26F3NO/c1-3-9-18-13(12-7-5-4-6-8-12)10-19-11(2)14(15,16)17/h11-13,18H,3-10H2,1-2H3
InChIKeyVPIWEHIYMHDKHY-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclohexyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine (CID 104749593) is N-[1-cyclohexyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclohexyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclohexyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine is CCCNC(COC(C)C(F)(F)F)C1CCCCC1.
What is the InChIKey of N-[1-cyclohexyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine?
The InChIKey is VPIWEHIYMHDKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-3-9-18-13(12-7-5-4-6-8-12)10-19-11(2)14(15,16)17/h11-13,18H,3-10H2,1-2H3.
What are the key properties of N-[1-cyclohexyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine?
N-[1-cyclohexyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-(1,1,1-trifluoropropan-2-yloxy)ethyl]propan-1-amine is sourced from PubChem (CID 104749593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).