(5E,7E)-2-(difluoromethyl)-N,5,8-trimethyldeca-1,5,7-trien-4-imine

C14H21F2N — CID 170733996

IUPAC(5E,7E)-2-(difluoromethyl)-N,5,8-trimethyldeca-1,5,7-trien-4-imine
SMILESC=C(CC(=N\C)/C(C)=C/C=C(\C)CC)C(F)F
InChIInChI=1S/C14H21F2N/c1-6-10(2)7-8-11(3)13(17-5)9-12(4)14(15)16/h7-8,14H,4,6,9H2,1-3,5H3/b10-7+,11-8+,17-13+
InChIKeyGSWXQKOCAJNTOU-AGCZFBHISA-N
MW241.32 g/mol
LogP4.57
Rot. Bonds6

About (5E,7E)-2-(difluoromethyl)-N,5,8-trimethyldeca-1,5,7-trien-4-imine

(5E,7E)-2-(difluoromethyl)-N,5,8-trimethyldeca-1,5,7-trien-4-imine (PubChem CID 170733996) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is (5E,7E)-2-(difluoromethyl)-N,5,8-trimethyldeca-1,5,7-trien-4-imine.

Molecular Properties

Compound Name(5E,7E)-2-(difluoromethyl)-N,5,8-trimethyldeca-1,5,7-trien-4-imine
PubChem CID170733996
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name(5E,7E)-2-(difluoromethyl)-N,5,8-trimethyldeca-1,5,7-trien-4-imine
SMILESC=C(CC(=N\C)/C(C)=C/C=C(\C)CC)C(F)F
InChIInChI=1S/C14H21F2N/c1-6-10(2)7-8-11(3)13(17-5)9-12(4)14(15)16/h7-8,14H,4,6,9H2,1-3,5H3/b10-7+,11-8+,17-13+
InChIKeyGSWXQKOCAJNTOU-AGCZFBHISA-N
XLogP4.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 54.57
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-1,1,1-trifluoro-N,6,6-trimethyl-5-methylidenehept-3-en-2-imine
CID 88877671
(Z)-1,1,1-trifluoro-N,3-bis(prop-1-en-2-yl)hex-3-en-2-imine
CID 89010256
(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
CID 123513819
5-fluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123676418
(3E)-N-ethyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123705581
(3E)-N-methyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123905830
N-[(E)-9,9-difluoro-2,4-dimethyl-6-methylidenedec-4-en-2-yl]butan-2-imine
CID 129066317
1-[(4E,6Z)-5-fluorocycloocta-1,4,6-trien-1-yl]-N-methylethanimine
CID 129215964
7,7,7-trifluoro-N-[(3Z,5Z)-5-methylocta-3,5-dienyl]heptan-2-imine
CID 130182822
(3E)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
CID 130256677

Frequently Asked Questions

What is the IUPAC name of (5E,7E)-2-(difluoromethyl)-N,5,8-trimethyldeca-1,5,7-trien-4-imine?
The IUPAC name of (5E,7E)-2-(difluoromethyl)-N,5,8-trimethyldeca-1,5,7-trien-4-imine (CID 170733996) is (5E,7E)-2-(difluoromethyl)-N,5,8-trimethyldeca-1,5,7-trien-4-imine.
What is the SMILES notation for (5E,7E)-2-(difluoromethyl)-N,5,8-trimethyldeca-1,5,7-trien-4-imine?
The canonical SMILES for (5E,7E)-2-(difluoromethyl)-N,5,8-trimethyldeca-1,5,7-trien-4-imine is C=C(CC(=N\C)/C(C)=C/C=C(\C)CC)C(F)F.
What is the InChIKey of (5E,7E)-2-(difluoromethyl)-N,5,8-trimethyldeca-1,5,7-trien-4-imine?
The InChIKey is GSWXQKOCAJNTOU-AGCZFBHISA-N. The full InChI is InChI=1S/C14H21F2N/c1-6-10(2)7-8-11(3)13(17-5)9-12(4)14(15)16/h7-8,14H,4,6,9H2,1-3,5H3/b10-7+,11-8+,17-13+.
What are the key properties of (5E,7E)-2-(difluoromethyl)-N,5,8-trimethyldeca-1,5,7-trien-4-imine?
(5E,7E)-2-(difluoromethyl)-N,5,8-trimethyldeca-1,5,7-trien-4-imine has a molecular weight of 241.32 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E)-2-(difluoromethyl)-N,5,8-trimethyldeca-1,5,7-trien-4-imine is sourced from PubChem (CID 170733996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).