N-(4,4,4-trifluorobutyl)cyclohex-2-en-1-amine

C10H16F3N — CID 107907628

IUPACN-(4,4,4-trifluorobutyl)cyclohex-2-en-1-amine
SMILESFC(F)(F)CCCNC1C=CCCC1
InChIInChI=1S/C10H16F3N/c11-10(12,13)7-4-8-14-9-5-2-1-3-6-9/h2,5,9,14H,1,3-4,6-8H2
InChIKeyMZXYYXUMXIEYBK-UHFFFAOYSA-N
MW207.24 g/mol
LogP3.03
Rot. Bonds4

About N-(4,4,4-trifluorobutyl)cyclohex-2-en-1-amine

N-(4,4,4-trifluorobutyl)cyclohex-2-en-1-amine (PubChem CID 107907628) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutyl)cyclohex-2-en-1-amine
PubChem CID107907628
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC NameN-(4,4,4-trifluorobutyl)cyclohex-2-en-1-amine
SMILESFC(F)(F)CCCNC1C=CCCC1
InChIInChI=1S/C10H16F3N/c11-10(12,13)7-4-8-14-9-5-2-1-3-6-9/h2,5,9,14H,1,3-4,6-8H2
InChIKeyMZXYYXUMXIEYBK-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(4,4,4-trifluorobutyl)cyclohex-2-en-1-amine (CID 107907628) is N-(4,4,4-trifluorobutyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(4,4,4-trifluorobutyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(4,4,4-trifluorobutyl)cyclohex-2-en-1-amine is FC(F)(F)CCCNC1C=CCCC1.
What is the InChIKey of N-(4,4,4-trifluorobutyl)cyclohex-2-en-1-amine?
The InChIKey is MZXYYXUMXIEYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N/c11-10(12,13)7-4-8-14-9-5-2-1-3-6-9/h2,5,9,14H,1,3-4,6-8H2.
What are the key properties of N-(4,4,4-trifluorobutyl)cyclohex-2-en-1-amine?
N-(4,4,4-trifluorobutyl)cyclohex-2-en-1-amine has a molecular weight of 207.24 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 107907628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).