N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine

C13H21F6NO — CID 102723011

IUPACN-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OC(C(F)(F)F)C(F)(F)F)CCCCC1
InChIInChI=1S/C13H21F6NO/c1-2-8-20-9-11(6-4-3-5-7-11)21-10(12(14,15)16)13(17,18)19/h10,20H,2-9H2,1H3
InChIKeyQSNVSKSFSDQRBO-UHFFFAOYSA-N
MW321.31 g/mol
LogP4.20
Rot. Bonds6

About N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine

N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine (PubChem CID 102723011) has the molecular formula C13H21F6NO and a molecular weight of 321.31 g/mol. Its IUPAC name is N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine
PubChem CID102723011
Molecular FormulaC13H21F6NO
Molecular Weight321.31 g/mol
Exact Mass321.15
IUPAC NameN-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(OC(C(F)(F)F)C(F)(F)F)CCCCC1
InChIInChI=1S/C13H21F6NO/c1-2-8-20-9-11(6-4-3-5-7-11)21-10(12(14,15)16)13(17,18)19/h10,20H,2-9H2,1H3
InChIKeyQSNVSKSFSDQRBO-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 54.20
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-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine (CID 102723011) is N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine is CCCNCC1(OC(C(F)(F)F)C(F)(F)F)CCCCC1.
What is the InChIKey of N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine?
The InChIKey is QSNVSKSFSDQRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F6NO/c1-2-8-20-9-11(6-4-3-5-7-11)21-10(12(14,15)16)13(17,18)19/h10,20H,2-9H2,1H3.
What are the key properties of N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine?
N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine has a molecular weight of 321.31 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 102723011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).