1-(4,4-difluorocyclohexyl)-2,2-dimethylpropan-1-amine

C11H21F2N — CID 105146065

IUPAC1-(4,4-difluorocyclohexyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)C1CCC(F)(F)CC1
InChIInChI=1S/C11H21F2N/c1-10(2,3)9(14)8-4-6-11(12,13)7-5-8/h8-9H,4-7,14H2,1-3H3
InChIKeyBFHYCOMVQUITNB-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.19
Rot. Bonds1

About 1-(4,4-difluorocyclohexyl)-2,2-dimethylpropan-1-amine

1-(4,4-difluorocyclohexyl)-2,2-dimethylpropan-1-amine (PubChem CID 105146065) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2,2-dimethylpropan-1-amine
PubChem CID105146065
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name1-(4,4-difluorocyclohexyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)C1CCC(F)(F)CC1
InChIInChI=1S/C11H21F2N/c1-10(2,3)9(14)8-4-6-11(12,13)7-5-8/h8-9H,4-7,14H2,1-3H3
InChIKeyBFHYCOMVQUITNB-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-difluoro-4-(3-methylbutan-2-yl)cyclohexane
CID 134252083
[1-(4,4-difluorocyclohexyl)-2-methylpropyl]hydrazine
CID 105281739
1-(4,4-difluorocyclohexyl)ethylhydrazine
CID 105282609
methyl (2R)-2-amino-2-(4,4-difluorocyclohexyl)acetate
CID 71742057
(4,4-difluorocyclohexyl)-(3,5-dimethylcyclohexyl)methanamine
CID 105154323
2-amino-2-(4,4-difluorocyclohexyl)acetaldehyde
CID 168935659
methyl 2-(4,4-difluorocyclohexyl)propanoate
CID 76804780
1,1-difluoro-4-methylcyclohexane;methanamine
CID 144779644
1-cyclopentyl-2,2-difluoropropan-1-amine
CID 84651643
1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-ol
CID 105110086
(4-tert-butylphenyl)-(4,4-difluorocyclohexyl)methanol
CID 105091802
1-(3-ethylcyclopentyl)-2,2-dimethylpropan-1-amine
CID 65411012

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2,2-dimethylpropan-1-amine (CID 105146065) is 1-(4,4-difluorocyclohexyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2,2-dimethylpropan-1-amine?
The InChIKey is BFHYCOMVQUITNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-10(2,3)9(14)8-4-6-11(12,13)7-5-8/h8-9H,4-7,14H2,1-3H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2,2-dimethylpropan-1-amine?
1-(4,4-difluorocyclohexyl)-2,2-dimethylpropan-1-amine has a molecular weight of 205.29 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 105146065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).