(4Z)-4-(fluoromethylidene)-2-methoxy-N,N-dimethylhexan-3-amine

C10H20FNO — CID 177010026

IUPAC(4Z)-4-(fluoromethylidene)-2-methoxy-N,N-dimethylhexan-3-amine
SMILESCC/C(=C/F)C(C(C)OC)N(C)C
InChIInChI=1S/C10H20FNO/c1-6-9(7-11)10(12(3)4)8(2)13-5/h7-8,10H,6H2,1-5H3/b9-7-
InChIKeyJEUFBXSEDFVVAI-CLFYSBASSA-N
MW189.27 g/mol
LogP2.21
Rot. Bonds5

About (4Z)-4-(fluoromethylidene)-2-methoxy-N,N-dimethylhexan-3-amine

(4Z)-4-(fluoromethylidene)-2-methoxy-N,N-dimethylhexan-3-amine (PubChem CID 177010026) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is (4Z)-4-(fluoromethylidene)-2-methoxy-N,N-dimethylhexan-3-amine.

Molecular Properties

Compound Name(4Z)-4-(fluoromethylidene)-2-methoxy-N,N-dimethylhexan-3-amine
PubChem CID177010026
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name(4Z)-4-(fluoromethylidene)-2-methoxy-N,N-dimethylhexan-3-amine
SMILESCC/C(=C/F)C(C(C)OC)N(C)C
InChIInChI=1S/C10H20FNO/c1-6-9(7-11)10(12(3)4)8(2)13-5/h7-8,10H,6H2,1-5H3/b9-7-
InChIKeyJEUFBXSEDFVVAI-CLFYSBASSA-N
XLogP2.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3E)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine
CID 176664030
(2S,3S,4Z)-2-ethoxy-4-(fluoromethylidene)-N,N-dimethylhexan-3-amine
CID 176664346
(3Z)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine
CID 177009166
(3Z)-1-ethyl-3-(fluoromethylidene)-2-(1-methoxyethyl)pyrrolidine
CID 177009224
(2S,3E)-3-(fluoromethylidene)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine
CID 177009261
(2S,3E)-3-(fluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 177009290
(2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 177009364
(3E)-3-(fluoromethylidene)-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine
CID 177009370
(2S,3Z)-3-(fluoromethylidene)-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine
CID 177009465
(2S,3Z)-3-(fluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 177009527
(2S,3Z)-1-ethyl-3-(fluoromethylidene)-2-[(1S)-1-methoxyethyl]pyrrolidine
CID 177009641
(2S,3S,4Z)-N-ethyl-4-(fluoromethylidene)-2-propoxyhexan-3-amine
CID 177009735

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(fluoromethylidene)-2-methoxy-N,N-dimethylhexan-3-amine?
The IUPAC name of (4Z)-4-(fluoromethylidene)-2-methoxy-N,N-dimethylhexan-3-amine (CID 177010026) is (4Z)-4-(fluoromethylidene)-2-methoxy-N,N-dimethylhexan-3-amine.
What is the SMILES notation for (4Z)-4-(fluoromethylidene)-2-methoxy-N,N-dimethylhexan-3-amine?
The canonical SMILES for (4Z)-4-(fluoromethylidene)-2-methoxy-N,N-dimethylhexan-3-amine is CC/C(=C/F)C(C(C)OC)N(C)C.
What is the InChIKey of (4Z)-4-(fluoromethylidene)-2-methoxy-N,N-dimethylhexan-3-amine?
The InChIKey is JEUFBXSEDFVVAI-CLFYSBASSA-N. The full InChI is InChI=1S/C10H20FNO/c1-6-9(7-11)10(12(3)4)8(2)13-5/h7-8,10H,6H2,1-5H3/b9-7-.
What are the key properties of (4Z)-4-(fluoromethylidene)-2-methoxy-N,N-dimethylhexan-3-amine?
(4Z)-4-(fluoromethylidene)-2-methoxy-N,N-dimethylhexan-3-amine has a molecular weight of 189.27 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(fluoromethylidene)-2-methoxy-N,N-dimethylhexan-3-amine is sourced from PubChem (CID 177010026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).