N-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine

C10H20F3NO — CID 82955623

IUPACN-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine
SMILESCCCNC(C)CCOCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-3-6-14-9(2)4-7-15-8-5-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyOQPCFEPKGOOJGF-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.73
Rot. Bonds8

About N-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine

N-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine (PubChem CID 82955623) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is N-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine.

Molecular Properties

Compound NameN-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine
PubChem CID82955623
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC NameN-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine
SMILESCCCNC(C)CCOCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-3-6-14-9(2)4-7-15-8-5-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyOQPCFEPKGOOJGF-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.73
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

5-(2,2,3,3,3-pentafluoropropoxy)-N-propylpentan-2-amine
CID 103725355
N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine
CID 62199109
N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 63226562
6-(3-methoxy-3-methylbutoxy)-N-propylhexan-2-amine
CID 106665349
2-(ethylamino)-4-(3,3,3-trifluoropropoxy)butan-1-ol
CID 82957714
1-(3,3-dimethylbutoxy)-N-propylpropan-2-amine
CID 66232455
6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148699
8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine
CID 115516392
6,6,6-trifluoro-N-hexylhexan-2-amine
CID 116534124
6-methoxy-4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 103148773
6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 116534777
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
CID 54962012

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine?
The IUPAC name of N-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine (CID 82955623) is N-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine.
What is the SMILES notation for N-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine?
The canonical SMILES for N-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine is CCCNC(C)CCOCCC(F)(F)F.
What is the InChIKey of N-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine?
The InChIKey is OQPCFEPKGOOJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-3-6-14-9(2)4-7-15-8-5-10(11,12)13/h9,14H,3-8H2,1-2H3.
What are the key properties of N-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine?
N-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine has a molecular weight of 227.27 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(3,3,3-trifluoropropoxy)butan-2-amine is sourced from PubChem (CID 82955623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).