N-(4,4-difluorocyclohexyl)-N-methylpropanimidamide

C10H18F2N2 — CID 164650884

IUPACN-(4,4-difluorocyclohexyl)-N-methylpropanimidamide
SMILES[H]/N=C(\CC)N(C)C1CCC(F)(F)CC1
InChIInChI=1S/C10H18F2N2/c1-3-9(13)14(2)8-4-6-10(11,12)7-5-8/h8,13H,3-7H2,1-2H3/b13-9+
InChIKeyBARCGOLLQAXTON-UKTHLTGXSA-N
MW204.26 g/mol
LogP2.88
Rot. Bonds2

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

N-(4,4-difluorocyclohexyl)-N-methylpropanimidamide (PubChem CID 164650884) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-N-methylpropanimidamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-N-methylpropanimidamide
PubChem CID164650884
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC NameN-(4,4-difluorocyclohexyl)-N-methylpropanimidamide
SMILES[H]/N=C(\CC)N(C)C1CCC(F)(F)CC1
InChIInChI=1S/C10H18F2N2/c1-3-9(13)14(2)8-4-6-10(11,12)7-5-8/h8,13H,3-7H2,1-2H3/b13-9+
InChIKeyBARCGOLLQAXTON-UKTHLTGXSA-N
XLogP2.88
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 52.88
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
N,N-dicyclohexyl-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanimidamide
CID 56696388
3-[Methyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 60891754
3-[Ethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 61604556
3-[Propyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 61604559
3-[Propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 61604645
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
3-[Methyl(3,3,3-trifluoropropyl)amino]pentanimidamide
CID 65538006
2,2,2-Trifluoro-N,N-dihexylacetimidamide
CID 72942564
1-(4,4,4-Trifluorobutan-2-yl)piperidin-2-imine
CID 105931799

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-N-methylpropanimidamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-N-methylpropanimidamide (CID 164650884) is N-(4,4-difluorocyclohexyl)-N-methylpropanimidamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-N-methylpropanimidamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-N-methylpropanimidamide is [H]/N=C(\CC)N(C)C1CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-N-methylpropanimidamide?
The InChIKey is BARCGOLLQAXTON-UKTHLTGXSA-N. The full InChI is InChI=1S/C10H18F2N2/c1-3-9(13)14(2)8-4-6-10(11,12)7-5-8/h8,13H,3-7H2,1-2H3/b13-9+.
What are the key properties of N-(4,4-difluorocyclohexyl)-N-methylpropanimidamide?
N-(4,4-difluorocyclohexyl)-N-methylpropanimidamide has a molecular weight of 204.26 g/mol, XLogP of 2.88, 2 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-methylpropanimidamide is sourced from PubChem (CID 164650884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).