N-(4,4-difluorocyclohexyl)-4-ethylhex-3-en-2-imine

C14H23F2N — CID 91344076

IUPACN-(4,4-difluorocyclohexyl)-4-ethylhex-3-en-2-imine
SMILESCCC(=C/C(C)=N/C1CCC(F)(F)CC1)CC
InChIInChI=1S/C14H23F2N/c1-4-12(5-2)10-11(3)17-13-6-8-14(15,16)9-7-13/h10,13H,4-9H2,1-3H3/b17-11+
InChIKeySZNNZUJHBALNSQ-GZTJUZNOSA-N
MW243.34 g/mol
LogP4.77
Rot. Bonds4

About N-(4,4-difluorocyclohexyl)-4-ethylhex-3-en-2-imine

N-(4,4-difluorocyclohexyl)-4-ethylhex-3-en-2-imine (PubChem CID 91344076) has the molecular formula C14H23F2N and a molecular weight of 243.34 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-4-ethylhex-3-en-2-imine.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-4-ethylhex-3-en-2-imine
PubChem CID91344076
Molecular FormulaC14H23F2N
Molecular Weight243.34 g/mol
Exact Mass243.18
IUPAC NameN-(4,4-difluorocyclohexyl)-4-ethylhex-3-en-2-imine
SMILESCCC(=C/C(C)=N/C1CCC(F)(F)CC1)CC
InChIInChI=1S/C14H23F2N/c1-4-12(5-2)10-11(3)17-13-6-8-14(15,16)9-7-13/h10,13H,4-9H2,1-3H3/b17-11+
InChIKeySZNNZUJHBALNSQ-GZTJUZNOSA-N
XLogP4.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-(4,4-difluorocyclohexyl)-3-methyl-N-prop-1-en-2-ylbut-2-enimidamide
CID 149063019
(4,4-difluorocyclohexyl)methanol;ethane
CID 162726117
1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-ol
CID 105110086
N-cyclooctyl-1-triethylsilylethanimine
CID 101358854
1,1-difluoro-4-isocyanatocyclohexane
CID 59496539
1-[amino-[(4,4-difluorocyclohexyl)amino]methyl]-2-(4,4-difluorocyclohexyl)guanidine
CID 138579998
1,1-difluoro-4-(3-methylbutan-2-yl)cyclohexane
CID 134252083
(Z)-3-cyclopropylimino-1-(2-fluorophenyl)but-1-en-1-amine
CID 178061416
2-(cycloheptylmethylidene)butan-1-ol
CID 79335200
N'-cyclopentyl-3-methylbut-2-enimidamide
CID 142193446
cis-(1R,2R)-2-ethyl-4,4-difluorocyclohexan-1-ol
CID 121407303
1-(4,4-difluorocyclohexyl)-3-methylpentan-1-one
CID 105091676

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-4-ethylhex-3-en-2-imine?
The IUPAC name of N-(4,4-difluorocyclohexyl)-4-ethylhex-3-en-2-imine (CID 91344076) is N-(4,4-difluorocyclohexyl)-4-ethylhex-3-en-2-imine.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-4-ethylhex-3-en-2-imine?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-4-ethylhex-3-en-2-imine is CCC(=C/C(C)=N/C1CCC(F)(F)CC1)CC.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-4-ethylhex-3-en-2-imine?
The InChIKey is SZNNZUJHBALNSQ-GZTJUZNOSA-N. The full InChI is InChI=1S/C14H23F2N/c1-4-12(5-2)10-11(3)17-13-6-8-14(15,16)9-7-13/h10,13H,4-9H2,1-3H3/b17-11+.
What are the key properties of N-(4,4-difluorocyclohexyl)-4-ethylhex-3-en-2-imine?
N-(4,4-difluorocyclohexyl)-4-ethylhex-3-en-2-imine has a molecular weight of 243.34 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-4-ethylhex-3-en-2-imine is sourced from PubChem (CID 91344076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).