N-(3,3,3-trifluoropropyl)cyclohex-2-en-1-amine

C9H14F3N — CID 107906958

IUPACN-(3,3,3-trifluoropropyl)cyclohex-2-en-1-amine
SMILESFC(F)(F)CCNC1C=CCCC1
InChIInChI=1S/C9H14F3N/c10-9(11,12)6-7-13-8-4-2-1-3-5-8/h2,4,8,13H,1,3,5-7H2
InChIKeySUJOXCCIEIMHHG-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.64
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)cyclohex-2-en-1-amine

N-(3,3,3-trifluoropropyl)cyclohex-2-en-1-amine (PubChem CID 107906958) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)cyclohex-2-en-1-amine
PubChem CID107906958
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC NameN-(3,3,3-trifluoropropyl)cyclohex-2-en-1-amine
SMILESFC(F)(F)CCNC1C=CCCC1
InChIInChI=1S/C9H14F3N/c10-9(11,12)6-7-13-8-4-2-1-3-5-8/h2,4,8,13H,1,3,5-7H2
InChIKeySUJOXCCIEIMHHG-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.64
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-(3,3,3-trifluoropropyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)cyclohex-2-en-1-amine (CID 107906958) is N-(3,3,3-trifluoropropyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)cyclohex-2-en-1-amine is FC(F)(F)CCNC1C=CCCC1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)cyclohex-2-en-1-amine?
The InChIKey is SUJOXCCIEIMHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c10-9(11,12)6-7-13-8-4-2-1-3-5-8/h2,4,8,13H,1,3,5-7H2.
What are the key properties of N-(3,3,3-trifluoropropyl)cyclohex-2-en-1-amine?
N-(3,3,3-trifluoropropyl)cyclohex-2-en-1-amine has a molecular weight of 193.21 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 107906958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).