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

C9H13F4N — CID 106292237

IUPACN-(2,2,3,3-tetrafluoropropyl)cyclohex-2-en-1-amine
SMILESFC(F)C(F)(F)CNC1C=CCCC1
InChIInChI=1S/C9H13F4N/c10-8(11)9(12,13)6-14-7-4-2-1-3-5-7/h2,4,7-8,14H,1,3,5-6H2
InChIKeySCDHRBCNULLTRU-UHFFFAOYSA-N
MW211.20 g/mol
LogP2.59
Rot. Bonds4

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

N-(2,2,3,3-tetrafluoropropyl)cyclohex-2-en-1-amine (PubChem CID 106292237) has the molecular formula C9H13F4N and a molecular weight of 211.20 g/mol. Its IUPAC name is N-(2,2,3,3-tetrafluoropropyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(2,2,3,3-tetrafluoropropyl)cyclohex-2-en-1-amine
PubChem CID106292237
Molecular FormulaC9H13F4N
Molecular Weight211.20 g/mol
Exact Mass211.10
IUPAC NameN-(2,2,3,3-tetrafluoropropyl)cyclohex-2-en-1-amine
SMILESFC(F)C(F)(F)CNC1C=CCCC1
InChIInChI=1S/C9H13F4N/c10-8(11)9(12,13)6-14-7-4-2-1-3-5-7/h2,4,7-8,14H,1,3,5-6H2
InChIKeySCDHRBCNULLTRU-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3-tetrafluoropropyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(2,2,3,3-tetrafluoropropyl)cyclohex-2-en-1-amine (CID 106292237) is N-(2,2,3,3-tetrafluoropropyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(2,2,3,3-tetrafluoropropyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(2,2,3,3-tetrafluoropropyl)cyclohex-2-en-1-amine is FC(F)C(F)(F)CNC1C=CCCC1.
What is the InChIKey of N-(2,2,3,3-tetrafluoropropyl)cyclohex-2-en-1-amine?
The InChIKey is SCDHRBCNULLTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4N/c10-8(11)9(12,13)6-14-7-4-2-1-3-5-7/h2,4,7-8,14H,1,3,5-6H2.
What are the key properties of N-(2,2,3,3-tetrafluoropropyl)cyclohex-2-en-1-amine?
N-(2,2,3,3-tetrafluoropropyl)cyclohex-2-en-1-amine has a molecular weight of 211.20 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3-tetrafluoropropyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 106292237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).