(1S)-3,3-difluorocyclohexan-1-amine;ethane

C8H16F2N+ — CID 142292359

IUPAC(1S)-3,3-difluorocyclohexan-1-amine;ethane
SMILESN[C@H]1CCCC(F)(F)C1.[CH2+]C
InChIInChI=1S/C6H11F2N.C2H5/c7-6(8)3-1-2-5(9)4-6;1-2/h5H,1-4,9H2;1H2,2H3/q;+1/t5-;/m0./s1
InChIKeyZCRKCADFMQGPIE-JEDNCBNOSA-N
MW164.22 g/mol
LogP2.36
Rot. Bonds

About (1S)-3,3-difluorocyclohexan-1-amine;ethane

(1S)-3,3-difluorocyclohexan-1-amine;ethane (PubChem CID 142292359) has the molecular formula C8H16F2N+ and a molecular weight of 164.22 g/mol. Its IUPAC name is (1S)-3,3-difluorocyclohexan-1-amine;ethane.

Molecular Properties

Compound Name(1S)-3,3-difluorocyclohexan-1-amine;ethane
PubChem CID142292359
Molecular FormulaC8H16F2N+
Molecular Weight164.22 g/mol
Exact Mass164.12
IUPAC Name(1S)-3,3-difluorocyclohexan-1-amine;ethane
SMILESN[C@H]1CCCC(F)(F)C1.[CH2+]C
InChIInChI=1S/C6H11F2N.C2H5/c7-6(8)3-1-2-5(9)4-6;1-2/h5H,1-4,9H2;1H2,2H3/q;+1/t5-;/m0./s1
InChIKeyZCRKCADFMQGPIE-JEDNCBNOSA-N
XLogP2.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-difluorocyclohexan-1-amine;ethane?
The IUPAC name of (1S)-3,3-difluorocyclohexan-1-amine;ethane (CID 142292359) is (1S)-3,3-difluorocyclohexan-1-amine;ethane.
What is the SMILES notation for (1S)-3,3-difluorocyclohexan-1-amine;ethane?
The canonical SMILES for (1S)-3,3-difluorocyclohexan-1-amine;ethane is N[C@H]1CCCC(F)(F)C1.[CH2+]C.
What is the InChIKey of (1S)-3,3-difluorocyclohexan-1-amine;ethane?
The InChIKey is ZCRKCADFMQGPIE-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H11F2N.C2H5/c7-6(8)3-1-2-5(9)4-6;1-2/h5H,1-4,9H2;1H2,2H3/q;+1/t5-;/m0./s1.
What are the key properties of (1S)-3,3-difluorocyclohexan-1-amine;ethane?
(1S)-3,3-difluorocyclohexan-1-amine;ethane has a molecular weight of 164.22 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3-difluorocyclohexan-1-amine;ethane is sourced from PubChem (CID 142292359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).