4-(3,3,3-trifluoropropylidene)cyclohexan-1-amine

C9H14F3N — CID 79879784

IUPAC4-(3,3,3-trifluoropropylidene)cyclohexan-1-amine
SMILESNC1CCC(=CCC(F)(F)F)CC1
InChIInChI=1S/C9H14F3N/c10-9(11,12)6-5-7-1-3-8(13)4-2-7/h5,8H,1-4,6,13H2/b7-5-
InChIKeyRNKWZQIRZGXGSE-ALCCZGGFSA-N
MW193.21 g/mol
LogP2.77
Rot. Bonds1

About 4-(3,3,3-trifluoropropylidene)cyclohexan-1-amine

4-(3,3,3-trifluoropropylidene)cyclohexan-1-amine (PubChem CID 79879784) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropylidene)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropylidene)cyclohexan-1-amine
PubChem CID79879784
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name4-(3,3,3-trifluoropropylidene)cyclohexan-1-amine
SMILESNC1CCC(=CCC(F)(F)F)CC1
InChIInChI=1S/C9H14F3N/c10-9(11,12)6-5-7-1-3-8(13)4-2-7/h5,8H,1-4,6,13H2/b7-5-
InChIKeyRNKWZQIRZGXGSE-ALCCZGGFSA-N
XLogP2.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.77
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 4-(3,3,3-trifluoropropylidene)cyclohexan-1-amine?
The IUPAC name of 4-(3,3,3-trifluoropropylidene)cyclohexan-1-amine (CID 79879784) is 4-(3,3,3-trifluoropropylidene)cyclohexan-1-amine.
What is the SMILES notation for 4-(3,3,3-trifluoropropylidene)cyclohexan-1-amine?
The canonical SMILES for 4-(3,3,3-trifluoropropylidene)cyclohexan-1-amine is NC1CCC(=CCC(F)(F)F)CC1.
What is the InChIKey of 4-(3,3,3-trifluoropropylidene)cyclohexan-1-amine?
The InChIKey is RNKWZQIRZGXGSE-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H14F3N/c10-9(11,12)6-5-7-1-3-8(13)4-2-7/h5,8H,1-4,6,13H2/b7-5-.
What are the key properties of 4-(3,3,3-trifluoropropylidene)cyclohexan-1-amine?
4-(3,3,3-trifluoropropylidene)cyclohexan-1-amine has a molecular weight of 193.21 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropylidene)cyclohexan-1-amine is sourced from PubChem (CID 79879784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).