(2Z)-2-ethylidene-5,5-difluoro-N-methylhexan-1-amine

C9H17F2N — CID 146536778

IUPAC(2Z)-2-ethylidene-5,5-difluoro-N-methylhexan-1-amine
SMILESC/C=C(/CCC(C)(F)F)CNC
InChIInChI=1S/C9H17F2N/c1-4-8(7-12-3)5-6-9(2,10)11/h4,12H,5-7H2,1-3H3/b8-4-
InChIKeyVBQKKPNHDSFEBA-YWEYNIOJSA-N
MW177.24 g/mol
LogP2.59
Rot. Bonds5

About (2Z)-2-ethylidene-5,5-difluoro-N-methylhexan-1-amine

(2Z)-2-ethylidene-5,5-difluoro-N-methylhexan-1-amine (PubChem CID 146536778) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is (2Z)-2-ethylidene-5,5-difluoro-N-methylhexan-1-amine.

Molecular Properties

Compound Name(2Z)-2-ethylidene-5,5-difluoro-N-methylhexan-1-amine
PubChem CID146536778
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name(2Z)-2-ethylidene-5,5-difluoro-N-methylhexan-1-amine
SMILESC/C=C(/CCC(C)(F)F)CNC
InChIInChI=1S/C9H17F2N/c1-4-8(7-12-3)5-6-9(2,10)11/h4,12H,5-7H2,1-3H3/b8-4-
InChIKeyVBQKKPNHDSFEBA-YWEYNIOJSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.59
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 (2Z)-2-ethylidene-5,5-difluoro-N-methylhexan-1-amine?
The IUPAC name of (2Z)-2-ethylidene-5,5-difluoro-N-methylhexan-1-amine (CID 146536778) is (2Z)-2-ethylidene-5,5-difluoro-N-methylhexan-1-amine.
What is the SMILES notation for (2Z)-2-ethylidene-5,5-difluoro-N-methylhexan-1-amine?
The canonical SMILES for (2Z)-2-ethylidene-5,5-difluoro-N-methylhexan-1-amine is C/C=C(/CCC(C)(F)F)CNC.
What is the InChIKey of (2Z)-2-ethylidene-5,5-difluoro-N-methylhexan-1-amine?
The InChIKey is VBQKKPNHDSFEBA-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H17F2N/c1-4-8(7-12-3)5-6-9(2,10)11/h4,12H,5-7H2,1-3H3/b8-4-.
What are the key properties of (2Z)-2-ethylidene-5,5-difluoro-N-methylhexan-1-amine?
(2Z)-2-ethylidene-5,5-difluoro-N-methylhexan-1-amine has a molecular weight of 177.24 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-5,5-difluoro-N-methylhexan-1-amine is sourced from PubChem (CID 146536778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).