N-ethyl-4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine

C10H18F3NO — CID 62605357

IUPACN-ethyl-4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine
SMILESCCNC(CC1CCCO1)CC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-2-14-8(7-10(11,12)13)6-9-4-3-5-15-9/h8-9,14H,2-7H2,1H3
InChIKeyTXNOGRCIRJMEBI-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.49
Rot. Bonds5

About N-ethyl-4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine

N-ethyl-4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine (PubChem CID 62605357) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine
PubChem CID62605357
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine
SMILESCCNC(CC1CCCO1)CC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-2-14-8(7-10(11,12)13)6-9-4-3-5-15-9/h8-9,14H,2-7H2,1H3
InChIKeyTXNOGRCIRJMEBI-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine (CID 62605357) is N-ethyl-4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine is CCNC(CC1CCCO1)CC(F)(F)F.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine?
The InChIKey is TXNOGRCIRJMEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-2-14-8(7-10(11,12)13)6-9-4-3-5-15-9/h8-9,14H,2-7H2,1H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine?
N-ethyl-4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine has a molecular weight of 225.25 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 62605357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).