1,1-difluoro-4-methylidene-N-propylhexan-2-amine

C10H19F2N — CID 103516837

IUPAC1,1-difluoro-4-methylidene-N-propylhexan-2-amine
SMILESC=C(CC)CC(NCCC)C(F)F
InChIInChI=1S/C10H19F2N/c1-4-6-13-9(10(11)12)7-8(3)5-2/h9-10,13H,3-7H2,1-2H3
InChIKeyBFRSXXBPBOXCRX-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.98
Rot. Bonds7

About 1,1-difluoro-4-methylidene-N-propylhexan-2-amine

1,1-difluoro-4-methylidene-N-propylhexan-2-amine (PubChem CID 103516837) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 1,1-difluoro-4-methylidene-N-propylhexan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-4-methylidene-N-propylhexan-2-amine
PubChem CID103516837
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name1,1-difluoro-4-methylidene-N-propylhexan-2-amine
SMILESC=C(CC)CC(NCCC)C(F)F
InChIInChI=1S/C10H19F2N/c1-4-6-13-9(10(11)12)7-8(3)5-2/h9-10,13H,3-7H2,1-2H3
InChIKeyBFRSXXBPBOXCRX-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.98
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 1,1-difluoro-4-methylidene-N-propylhexan-2-amine?
The IUPAC name of 1,1-difluoro-4-methylidene-N-propylhexan-2-amine (CID 103516837) is 1,1-difluoro-4-methylidene-N-propylhexan-2-amine.
What is the SMILES notation for 1,1-difluoro-4-methylidene-N-propylhexan-2-amine?
The canonical SMILES for 1,1-difluoro-4-methylidene-N-propylhexan-2-amine is C=C(CC)CC(NCCC)C(F)F.
What is the InChIKey of 1,1-difluoro-4-methylidene-N-propylhexan-2-amine?
The InChIKey is BFRSXXBPBOXCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-4-6-13-9(10(11)12)7-8(3)5-2/h9-10,13H,3-7H2,1-2H3.
What are the key properties of 1,1-difluoro-4-methylidene-N-propylhexan-2-amine?
1,1-difluoro-4-methylidene-N-propylhexan-2-amine has a molecular weight of 191.26 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-methylidene-N-propylhexan-2-amine is sourced from PubChem (CID 103516837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).