4-(4,4-difluorohex-1-en-2-yl)cyclohexan-1-amine

C12H21F2N — CID 134430016

IUPAC4-(4,4-difluorohex-1-en-2-yl)cyclohexan-1-amine
SMILESC=C(CC(F)(F)CC)C1CCC(N)CC1
InChIInChI=1S/C12H21F2N/c1-3-12(13,14)8-9(2)10-4-6-11(15)7-5-10/h10-11H,2-8,15H2,1H3
InChIKeyQJVYXQYIXQBJEW-UHFFFAOYSA-N
MW217.30 g/mol
LogP3.50
Rot. Bonds4

About 4-(4,4-difluorohex-1-en-2-yl)cyclohexan-1-amine

4-(4,4-difluorohex-1-en-2-yl)cyclohexan-1-amine (PubChem CID 134430016) has the molecular formula C12H21F2N and a molecular weight of 217.30 g/mol. Its IUPAC name is 4-(4,4-difluorohex-1-en-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(4,4-difluorohex-1-en-2-yl)cyclohexan-1-amine
PubChem CID134430016
Molecular FormulaC12H21F2N
Molecular Weight217.30 g/mol
Exact Mass217.16
IUPAC Name4-(4,4-difluorohex-1-en-2-yl)cyclohexan-1-amine
SMILESC=C(CC(F)(F)CC)C1CCC(N)CC1
InChIInChI=1S/C12H21F2N/c1-3-12(13,14)8-9(2)10-4-6-11(15)7-5-10/h10-11H,2-8,15H2,1H3
InChIKeyQJVYXQYIXQBJEW-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 53.50
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-(4,4-difluorohex-1-en-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-(4,4-difluorohex-1-en-2-yl)cyclohexan-1-amine (CID 134430016) is 4-(4,4-difluorohex-1-en-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(4,4-difluorohex-1-en-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(4,4-difluorohex-1-en-2-yl)cyclohexan-1-amine is C=C(CC(F)(F)CC)C1CCC(N)CC1.
What is the InChIKey of 4-(4,4-difluorohex-1-en-2-yl)cyclohexan-1-amine?
The InChIKey is QJVYXQYIXQBJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N/c1-3-12(13,14)8-9(2)10-4-6-11(15)7-5-10/h10-11H,2-8,15H2,1H3.
What are the key properties of 4-(4,4-difluorohex-1-en-2-yl)cyclohexan-1-amine?
4-(4,4-difluorohex-1-en-2-yl)cyclohexan-1-amine has a molecular weight of 217.30 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluorohex-1-en-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 134430016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).