4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-2-amine

C10H18F3N — CID 103931409

IUPAC4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-2-amine
SMILESCC(CC(F)(F)F)NC(C)C1(C)CC1
InChIInChI=1S/C10H18F3N/c1-7(6-10(11,12)13)14-8(2)9(3)4-5-9/h7-8,14H,4-6H2,1-3H3
InChIKeySREIYLNHAIPOPW-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.11
Rot. Bonds4

About 4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-2-amine

4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-2-amine (PubChem CID 103931409) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-2-amine
PubChem CID103931409
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-2-amine
SMILESCC(CC(F)(F)F)NC(C)C1(C)CC1
InChIInChI=1S/C10H18F3N/c1-7(6-10(11,12)13)14-8(2)9(3)4-5-9/h7-8,14H,4-6H2,1-3H3
InChIKeySREIYLNHAIPOPW-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-2-amine (CID 103931409) is 4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-2-amine is CC(CC(F)(F)F)NC(C)C1(C)CC1.
What is the InChIKey of 4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-2-amine?
The InChIKey is SREIYLNHAIPOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c1-7(6-10(11,12)13)14-8(2)9(3)4-5-9/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-2-amine?
4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-2-amine has a molecular weight of 209.25 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[1-(1-methylcyclopropyl)ethyl]butan-2-amine is sourced from PubChem (CID 103931409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).