N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine

C10H16F3N — CID 115890850

IUPACN-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine
SMILESCC(CC(F)(F)F)NC1CC=CCC1
InChIInChI=1S/C10H16F3N/c1-8(7-10(11,12)13)14-9-5-3-2-4-6-9/h2-3,8-9,14H,4-7H2,1H3
InChIKeyAEWCHFTZCPMBBA-UHFFFAOYSA-N
MW207.24 g/mol
LogP3.03
Rot. Bonds3

About N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine

N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine (PubChem CID 115890850) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine
PubChem CID115890850
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC NameN-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine
SMILESCC(CC(F)(F)F)NC1CC=CCC1
InChIInChI=1S/C10H16F3N/c1-8(7-10(11,12)13)14-9-5-3-2-4-6-9/h2-3,8-9,14H,4-7H2,1H3
InChIKeyAEWCHFTZCPMBBA-UHFFFAOYSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine?
The IUPAC name of N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine (CID 115890850) is N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine.
What is the SMILES notation for N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine?
The canonical SMILES for N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine is CC(CC(F)(F)F)NC1CC=CCC1.
What is the InChIKey of N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine?
The InChIKey is AEWCHFTZCPMBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N/c1-8(7-10(11,12)13)14-9-5-3-2-4-6-9/h2-3,8-9,14H,4-7H2,1H3.
What are the key properties of N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine?
N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine has a molecular weight of 207.24 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine is sourced from PubChem (CID 115890850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).