N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]pentan-2-amine

C10H17F6NO — CID 102723313

IUPACN-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]pentan-2-amine
SMILESCCCC(C)NCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H17F6NO/c1-3-4-7(2)17-5-6-18-8(9(11,12)13)10(14,15)16/h7-8,17H,3-6H2,1-2H3
InChIKeyINRVYIXKCREZKU-UHFFFAOYSA-N
MW281.24 g/mol
LogP3.27
Rot. Bonds7

About N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]pentan-2-amine

N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]pentan-2-amine (PubChem CID 102723313) has the molecular formula C10H17F6NO and a molecular weight of 281.24 g/mol. Its IUPAC name is N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]pentan-2-amine
PubChem CID102723313
Molecular FormulaC10H17F6NO
Molecular Weight281.24 g/mol
Exact Mass281.12
IUPAC NameN-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]pentan-2-amine
SMILESCCCC(C)NCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H17F6NO/c1-3-4-7(2)17-5-6-18-8(9(11,12)13)10(14,15)16/h7-8,17H,3-6H2,1-2H3
InChIKeyINRVYIXKCREZKU-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 53.27
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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Related Compounds

N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentan-2-amine
CID 62597643
N-(2-propan-2-yloxyethyl)hexan-2-amine
CID 62199838
N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-methoxyethanamine
CID 102723293
N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine
CID 62199109
N-(2-octoxyethyl)pentan-2-amine
CID 55196861
N-(2-undecoxyethyl)pentan-2-amine
CID 22091507
N-(3-propoxypropyl)pentan-2-amine
CID 82940850
N-[2-(2-tert-butyl-4-methylphenoxy)ethyl]pentan-2-amine
CID 63505239
N-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine
CID 82955623
N-(2-but-2-enoxyethyl)pentan-2-amine
CID 76946862
N'-methyl-N-pentan-2-yl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62559719
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]pentan-2-amine
CID 102747632

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]pentan-2-amine?
The IUPAC name of N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]pentan-2-amine (CID 102723313) is N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]pentan-2-amine.
What is the SMILES notation for N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]pentan-2-amine?
The canonical SMILES for N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]pentan-2-amine is CCCC(C)NCCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]pentan-2-amine?
The InChIKey is INRVYIXKCREZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F6NO/c1-3-4-7(2)17-5-6-18-8(9(11,12)13)10(14,15)16/h7-8,17H,3-6H2,1-2H3.
What are the key properties of N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]pentan-2-amine?
N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]pentan-2-amine has a molecular weight of 281.24 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]pentan-2-amine is sourced from PubChem (CID 102723313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).