N-(4,4-difluorocyclohexyl)-N-methylethanimidamide

C9H16F2N2 — CID 164650883

IUPACN-(4,4-difluorocyclohexyl)-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)C1CCC(F)(F)CC1
InChIInChI=1S/C9H16F2N2/c1-7(12)13(2)8-3-5-9(10,11)6-4-8/h8,12H,3-6H2,1-2H3/b12-7+
InChIKeyMXNSXHQWTHFJOR-KPKJPENVSA-N
MW190.24 g/mol
LogP2.49
Rot. Bonds1

About N-(4,4-difluorocyclohexyl)-N-methylethanimidamide

N-(4,4-difluorocyclohexyl)-N-methylethanimidamide (PubChem CID 164650883) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-N-methylethanimidamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-N-methylethanimidamide
PubChem CID164650883
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC NameN-(4,4-difluorocyclohexyl)-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)C1CCC(F)(F)CC1
InChIInChI=1S/C9H16F2N2/c1-7(12)13(2)8-3-5-9(10,11)6-4-8/h8,12H,3-6H2,1-2H3/b12-7+
InChIKeyMXNSXHQWTHFJOR-KPKJPENVSA-N
XLogP2.49
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dicyclohexyl-2,2,2-trifluoroethanimidamide
CID 117687825
1-Cyclohexyl-2,6-dimethyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
CID 17344644
5-[Propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 61604678
N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanimidamide
CID 63176726
N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide
CID 63176844
2,2,2-Trifluoro-N,N-dihexylacetimidamide
CID 72942564
1-(4,4,4-Trifluorobutan-2-yl)piperidin-2-imine
CID 105931799
2-[[Cyclohexyl(methyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 113808112
2-[[Cyclohexyl(ethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
CID 113808113
1-(3,3-Difluorobutyl)piperidin-2-imine
CID 126988419
1-(1,1-Difluoropropan-2-yl)piperidin-2-imine
CID 130964221
1-(2,2-Difluorocyclohexyl)pyrrolidin-2-imine
CID 131001557

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-N-methylethanimidamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-N-methylethanimidamide (CID 164650883) is N-(4,4-difluorocyclohexyl)-N-methylethanimidamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-N-methylethanimidamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-N-methylethanimidamide is [H]/N=C(\C)N(C)C1CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-N-methylethanimidamide?
The InChIKey is MXNSXHQWTHFJOR-KPKJPENVSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-7(12)13(2)8-3-5-9(10,11)6-4-8/h8,12H,3-6H2,1-2H3/b12-7+.
What are the key properties of N-(4,4-difluorocyclohexyl)-N-methylethanimidamide?
N-(4,4-difluorocyclohexyl)-N-methylethanimidamide has a molecular weight of 190.24 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-N-methylethanimidamide is sourced from PubChem (CID 164650883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).