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

C11H22FNO — CID 176664346

IUPAC(2S,3S,4Z)-2-ethoxy-4-(fluoromethylidene)-N,N-dimethylhexan-3-amine
SMILESCCO[C@@H](C)[C@H](/C(=C\F)CC)N(C)C
InChIInChI=1S/C11H22FNO/c1-6-10(8-12)11(13(4)5)9(3)14-7-2/h8-9,11H,6-7H2,1-5H3/b10-8-/t9-,11+/m0/s1
InChIKeyLIFWWOUGMVDLGW-DJTJSURISA-N
MW203.30 g/mol
LogP2.61
Rot. Bonds6

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

(2S,3S,4Z)-2-ethoxy-4-(fluoromethylidene)-N,N-dimethylhexan-3-amine (PubChem CID 176664346) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is (2S,3S,4Z)-2-ethoxy-4-(fluoromethylidene)-N,N-dimethylhexan-3-amine.

Molecular Properties

Compound Name(2S,3S,4Z)-2-ethoxy-4-(fluoromethylidene)-N,N-dimethylhexan-3-amine
PubChem CID176664346
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name(2S,3S,4Z)-2-ethoxy-4-(fluoromethylidene)-N,N-dimethylhexan-3-amine
SMILESCCO[C@@H](C)[C@H](/C(=C\F)CC)N(C)C
InChIInChI=1S/C11H22FNO/c1-6-10(8-12)11(13(4)5)9(3)14-7-2/h8-9,11H,6-7H2,1-5H3/b10-8-/t9-,11+/m0/s1
InChIKeyLIFWWOUGMVDLGW-DJTJSURISA-N
XLogP2.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3E)-3-(fluoromethylidene)-2-(1-methoxyethyl)-1-methylpyrrolidine
CID 176664030
(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
(2S,3Z)-3-(fluoromethylidene)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine
CID 177009881

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4Z)-2-ethoxy-4-(fluoromethylidene)-N,N-dimethylhexan-3-amine?
The IUPAC name of (2S,3S,4Z)-2-ethoxy-4-(fluoromethylidene)-N,N-dimethylhexan-3-amine (CID 176664346) is (2S,3S,4Z)-2-ethoxy-4-(fluoromethylidene)-N,N-dimethylhexan-3-amine.
What is the SMILES notation for (2S,3S,4Z)-2-ethoxy-4-(fluoromethylidene)-N,N-dimethylhexan-3-amine?
The canonical SMILES for (2S,3S,4Z)-2-ethoxy-4-(fluoromethylidene)-N,N-dimethylhexan-3-amine is CCO[C@@H](C)[C@H](/C(=C\F)CC)N(C)C.
What is the InChIKey of (2S,3S,4Z)-2-ethoxy-4-(fluoromethylidene)-N,N-dimethylhexan-3-amine?
The InChIKey is LIFWWOUGMVDLGW-DJTJSURISA-N. The full InChI is InChI=1S/C11H22FNO/c1-6-10(8-12)11(13(4)5)9(3)14-7-2/h8-9,11H,6-7H2,1-5H3/b10-8-/t9-,11+/m0/s1.
What are the key properties of (2S,3S,4Z)-2-ethoxy-4-(fluoromethylidene)-N,N-dimethylhexan-3-amine?
(2S,3S,4Z)-2-ethoxy-4-(fluoromethylidene)-N,N-dimethylhexan-3-amine has a molecular weight of 203.30 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4Z)-2-ethoxy-4-(fluoromethylidene)-N,N-dimethylhexan-3-amine is sourced from PubChem (CID 176664346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).