N-[(3E,7Z)-6-fluorodeca-3,7-dien-2-yl]methanimine

C11H18FN — CID 142913317

IUPACN-[(3E,7Z)-6-fluorodeca-3,7-dien-2-yl]methanimine
SMILESC=NC(C)/C=C/CC(F)/C=C\CC
InChIInChI=1S/C11H18FN/c1-4-5-8-11(12)9-6-7-10(2)13-3/h5-8,10-11H,3-4,9H2,1-2H3/b7-6+,8-5-
InChIKeySHZUDPXUKLDNKP-NGWHPUCNSA-N
MW183.27 g/mol
LogP3.33
Rot. Bonds6

About N-[(3E,7Z)-6-fluorodeca-3,7-dien-2-yl]methanimine

N-[(3E,7Z)-6-fluorodeca-3,7-dien-2-yl]methanimine (PubChem CID 142913317) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is N-[(3E,7Z)-6-fluorodeca-3,7-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(3E,7Z)-6-fluorodeca-3,7-dien-2-yl]methanimine
PubChem CID142913317
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC NameN-[(3E,7Z)-6-fluorodeca-3,7-dien-2-yl]methanimine
SMILESC=NC(C)/C=C/CC(F)/C=C\CC
InChIInChI=1S/C11H18FN/c1-4-5-8-11(12)9-6-7-10(2)13-3/h5-8,10-11H,3-4,9H2,1-2H3/b7-6+,8-5-
InChIKeySHZUDPXUKLDNKP-NGWHPUCNSA-N
XLogP3.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(5Z,7S)-7-fluorodeca-5,9-dien-3-yl]propan-2-imine
CID 89341029
N-(1,2,2-trifluorohept-4-en-3-yl)methanimine
CID 166907275
N-[(Z)-4-fluorohex-2-enyl]methanimine
CID 167132193
N-[(Z)-2,2-difluorohex-4-en-3-yl]ethanimine
CID 173908945
N-[(3Z,4Z)-3-(1-fluoroethylidene)hepta-4,6-dien-2-yl]methanimine
CID 142913204
N-pent-3-en-2-ylmethanimine
CID 57104228
N-hex-4-en-2-ylmethanimine
CID 123507410
N-nona-2,6-dienylmethanimine
CID 123850538
N-[(E)-oct-6-en-4-yl]methanimine
CID 124181997
N-[(Z,3S)-5-methyloct-4-en-3-yl]methanimine
CID 126738438
ethane;(4Z)-hexa-1,4-diene;N-prop-2-enylmethanimine
CID 143742739
ethane;(Z)-hex-2-ene;N-prop-2-enylmethanimine
CID 143743530

Frequently Asked Questions

What is the IUPAC name of N-[(3E,7Z)-6-fluorodeca-3,7-dien-2-yl]methanimine?
The IUPAC name of N-[(3E,7Z)-6-fluorodeca-3,7-dien-2-yl]methanimine (CID 142913317) is N-[(3E,7Z)-6-fluorodeca-3,7-dien-2-yl]methanimine.
What is the SMILES notation for N-[(3E,7Z)-6-fluorodeca-3,7-dien-2-yl]methanimine?
The canonical SMILES for N-[(3E,7Z)-6-fluorodeca-3,7-dien-2-yl]methanimine is C=NC(C)/C=C/CC(F)/C=C\CC.
What is the InChIKey of N-[(3E,7Z)-6-fluorodeca-3,7-dien-2-yl]methanimine?
The InChIKey is SHZUDPXUKLDNKP-NGWHPUCNSA-N. The full InChI is InChI=1S/C11H18FN/c1-4-5-8-11(12)9-6-7-10(2)13-3/h5-8,10-11H,3-4,9H2,1-2H3/b7-6+,8-5-.
What are the key properties of N-[(3E,7Z)-6-fluorodeca-3,7-dien-2-yl]methanimine?
N-[(3E,7Z)-6-fluorodeca-3,7-dien-2-yl]methanimine has a molecular weight of 183.27 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,7Z)-6-fluorodeca-3,7-dien-2-yl]methanimine is sourced from PubChem (CID 142913317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).