N-propyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine

C10H19F4NO — CID 62455623

IUPACN-propyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
SMILESCCCNCCCCOCC(F)(F)C(F)F
InChIInChI=1S/C10H19F4NO/c1-2-5-15-6-3-4-7-16-8-10(13,14)9(11)12/h9,15H,2-8H2,1H3
InChIKeyOEIUIBGAONJWET-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.68
Rot. Bonds10

About N-propyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine

N-propyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine (PubChem CID 62455623) has the molecular formula C10H19F4NO and a molecular weight of 245.26 g/mol. Its IUPAC name is N-propyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine.

Molecular Properties

Compound NameN-propyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
PubChem CID62455623
Molecular FormulaC10H19F4NO
Molecular Weight245.26 g/mol
Exact Mass245.14
IUPAC NameN-propyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
SMILESCCCNCCCCOCC(F)(F)C(F)F
InChIInChI=1S/C10H19F4NO/c1-2-5-15-6-3-4-7-16-8-10(13,14)9(11)12/h9,15H,2-8H2,1H3
InChIKeyOEIUIBGAONJWET-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
CID 62455622
N-propyl-5-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 82792890
5-pentoxy-N-propylpentan-1-amine
CID 62451179
3-pentoxy-N-propylpropan-1-amine
CID 62451352
3-hexoxy-N-propylpropan-1-amine
CID 62456253
7-ethoxy-N-propylheptan-1-amine
CID 163393813
4-[3-(dimethylamino)propoxy]-N-propylbutan-1-amine
CID 62458821
CID 172565067
CID 172565067
5-[2-(3-methoxypropoxy)ethoxy]-N-propylpentan-1-amine
CID 103181294
3-ethyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
CID 103475913
5-[2-(dimethylamino)ethoxy]-N-propylpentan-1-amine
CID 62458591
N-(2-undecoxyethyl)propan-1-amine
CID 22091510

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine?
The IUPAC name of N-propyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine (CID 62455623) is N-propyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine.
What is the SMILES notation for N-propyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine?
The canonical SMILES for N-propyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine is CCCNCCCCOCC(F)(F)C(F)F.
What is the InChIKey of N-propyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine?
The InChIKey is OEIUIBGAONJWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F4NO/c1-2-5-15-6-3-4-7-16-8-10(13,14)9(11)12/h9,15H,2-8H2,1H3.
What are the key properties of N-propyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine?
N-propyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine has a molecular weight of 245.26 g/mol, XLogP of 2.68, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(2,2,3,3-tetrafluoropropoxy)butan-1-amine is sourced from PubChem (CID 62455623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).