N-(1-cyclobutylethenyl)-3,3,3-trifluoro-2-methylpropan-1-amine

C10H16F3N — CID 156816420

IUPACN-(1-cyclobutylethenyl)-3,3,3-trifluoro-2-methylpropan-1-amine
SMILESC=C(NCC(C)C(F)(F)F)C1CCC1
InChIInChI=1S/C10H16F3N/c1-7(10(11,12)13)6-14-8(2)9-4-3-5-9/h7,9,14H,2-6H2,1H3
InChIKeyPEFMSOAXOMLZJP-UHFFFAOYSA-N
MW207.24 g/mol
LogP3.09
Rot. Bonds4

About N-(1-cyclobutylethenyl)-3,3,3-trifluoro-2-methylpropan-1-amine

N-(1-cyclobutylethenyl)-3,3,3-trifluoro-2-methylpropan-1-amine (PubChem CID 156816420) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is N-(1-cyclobutylethenyl)-3,3,3-trifluoro-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(1-cyclobutylethenyl)-3,3,3-trifluoro-2-methylpropan-1-amine
PubChem CID156816420
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC NameN-(1-cyclobutylethenyl)-3,3,3-trifluoro-2-methylpropan-1-amine
SMILESC=C(NCC(C)C(F)(F)F)C1CCC1
InChIInChI=1S/C10H16F3N/c1-7(10(11,12)13)6-14-8(2)9-4-3-5-9/h7,9,14H,2-6H2,1H3
InChIKeyPEFMSOAXOMLZJP-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethenyl)-3,3,3-trifluoro-2-methylpropan-1-amine?
The IUPAC name of N-(1-cyclobutylethenyl)-3,3,3-trifluoro-2-methylpropan-1-amine (CID 156816420) is N-(1-cyclobutylethenyl)-3,3,3-trifluoro-2-methylpropan-1-amine.
What is the SMILES notation for N-(1-cyclobutylethenyl)-3,3,3-trifluoro-2-methylpropan-1-amine?
The canonical SMILES for N-(1-cyclobutylethenyl)-3,3,3-trifluoro-2-methylpropan-1-amine is C=C(NCC(C)C(F)(F)F)C1CCC1.
What is the InChIKey of N-(1-cyclobutylethenyl)-3,3,3-trifluoro-2-methylpropan-1-amine?
The InChIKey is PEFMSOAXOMLZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N/c1-7(10(11,12)13)6-14-8(2)9-4-3-5-9/h7,9,14H,2-6H2,1H3.
What are the key properties of N-(1-cyclobutylethenyl)-3,3,3-trifluoro-2-methylpropan-1-amine?
N-(1-cyclobutylethenyl)-3,3,3-trifluoro-2-methylpropan-1-amine has a molecular weight of 207.24 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethenyl)-3,3,3-trifluoro-2-methylpropan-1-amine is sourced from PubChem (CID 156816420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).