4,4-difluoro-N-prop-1-en-2-ylcyclohexan-1-amine

C9H15F2N — CID 162572545

IUPAC4,4-difluoro-N-prop-1-en-2-ylcyclohexan-1-amine
SMILESC=C(C)NC1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2N/c1-7(2)12-8-3-5-9(10,11)6-4-8/h8,12H,1,3-6H2,2H3
InChIKeyLWEBSKIJUSUFOC-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.69
Rot. Bonds2

About 4,4-difluoro-N-prop-1-en-2-ylcyclohexan-1-amine

4,4-difluoro-N-prop-1-en-2-ylcyclohexan-1-amine (PubChem CID 162572545) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 4,4-difluoro-N-prop-1-en-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-N-prop-1-en-2-ylcyclohexan-1-amine
PubChem CID162572545
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name4,4-difluoro-N-prop-1-en-2-ylcyclohexan-1-amine
SMILESC=C(C)NC1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2N/c1-7(2)12-8-3-5-9(10,11)6-4-8/h8,12H,1,3-6H2,2H3
InChIKeyLWEBSKIJUSUFOC-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-prop-1-en-2-ylcyclohexan-1-amine?
The IUPAC name of 4,4-difluoro-N-prop-1-en-2-ylcyclohexan-1-amine (CID 162572545) is 4,4-difluoro-N-prop-1-en-2-ylcyclohexan-1-amine.
What is the SMILES notation for 4,4-difluoro-N-prop-1-en-2-ylcyclohexan-1-amine?
The canonical SMILES for 4,4-difluoro-N-prop-1-en-2-ylcyclohexan-1-amine is C=C(C)NC1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-prop-1-en-2-ylcyclohexan-1-amine?
The InChIKey is LWEBSKIJUSUFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-7(2)12-8-3-5-9(10,11)6-4-8/h8,12H,1,3-6H2,2H3.
What are the key properties of 4,4-difluoro-N-prop-1-en-2-ylcyclohexan-1-amine?
4,4-difluoro-N-prop-1-en-2-ylcyclohexan-1-amine has a molecular weight of 175.22 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-prop-1-en-2-ylcyclohexan-1-amine is sourced from PubChem (CID 162572545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).