N-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine

C11H22F3NO — CID 82959356

IUPACN-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine
SMILESCCCCCNCC(C)OCCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-4-5-7-15-9-10(2)16-8-6-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyFUFPMSGSOMRKCA-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.12
Rot. Bonds9

About N-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine

N-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine (PubChem CID 82959356) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is N-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine
PubChem CID82959356
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC NameN-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine
SMILESCCCCCNCC(C)OCCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-4-5-7-15-9-10(2)16-8-6-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyFUFPMSGSOMRKCA-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.12
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-propyl-2-(4,4,4-trifluorobutoxy)propan-1-amine
CID 82792300
N-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
CID 62567250
N-(2-hexoxypropyl)butan-1-amine
CID 62599346
N-(2-propoxypropyl)butan-1-amine
CID 62583755
N-[2-(2-ethoxyethoxy)propyl]pentan-1-amine
CID 62565008
N-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine
CID 106668220
2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598311
N-[2-(1,1,1-trifluoropropan-2-yloxy)propyl]pentan-1-amine
CID 66276205
2-heptoxy-N-(3-methoxypropyl)propan-1-amine
CID 62597976
N-(2-prop-2-enoxypropyl)pentan-1-amine
CID 62571759
N-(2-methylpropyl)-4-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 82793365
N-[2-(2,2-difluoroethoxy)propyl]butan-1-amine
CID 82009434

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine?
The IUPAC name of N-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine (CID 82959356) is N-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine.
What is the SMILES notation for N-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine?
The canonical SMILES for N-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine is CCCCCNCC(C)OCCC(F)(F)F.
What is the InChIKey of N-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine?
The InChIKey is FUFPMSGSOMRKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-3-4-5-7-15-9-10(2)16-8-6-11(12,13)14/h10,15H,3-9H2,1-2H3.
What are the key properties of N-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine?
N-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine has a molecular weight of 241.30 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine is sourced from PubChem (CID 82959356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).