1-(difluoromethyl)cyclododecan-1-amine

C13H25F2N — CID 80605370

IUPAC1-(difluoromethyl)cyclododecan-1-amine
SMILESNC1(C(F)F)CCCCCCCCCCC1
InChIInChI=1S/C13H25F2N/c14-12(15)13(16)10-8-6-4-2-1-3-5-7-9-11-13/h12H,1-11,16H2
InChIKeyPOGPCRFJSAAUDD-UHFFFAOYSA-N
MW233.35 g/mol
LogP4.25
Rot. Bonds1

About 1-(difluoromethyl)cyclododecan-1-amine

1-(difluoromethyl)cyclododecan-1-amine (PubChem CID 80605370) has the molecular formula C13H25F2N and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(difluoromethyl)cyclododecan-1-amine.

Molecular Properties

Compound Name1-(difluoromethyl)cyclododecan-1-amine
PubChem CID80605370
Molecular FormulaC13H25F2N
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name1-(difluoromethyl)cyclododecan-1-amine
SMILESNC1(C(F)F)CCCCCCCCCCC1
InChIInChI=1S/C13H25F2N/c14-12(15)13(16)10-8-6-4-2-1-3-5-7-9-11-13/h12H,1-11,16H2
InChIKeyPOGPCRFJSAAUDD-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethyl)cyclooctan-1-amine
CID 80604781
1-(difluoromethyl)cyclopropan-1-amine;hydrochloride
CID 91663075
1-cycloheptyl-4-(difluoromethyl)piperidin-4-amine
CID 115045866
1-[fluoro(phenyl)methyl]cyclohexan-1-amine
CID 105460950
(1S)-1-(1-aminocycloheptyl)ethanol
CID 134175207
1-(difluoromethyl)-2,2-difluorocyclohexan-1-amine
CID 167721400
potassium;hydride;1-propan-2-ylcyclohexan-1-amine
CID 174666589
4-(difluoromethyl)spiro[4.4]nonan-4-amine
CID 130605016
1-(3-methylbutan-2-yl)cycloheptan-1-amine
CID 130632001
2-(1-aminocycloicosyl)propane-1,1-diol
CID 155410308
bis(cyclodecane);cyclodecane-1,1-diamine
CID 22325955
1-(difluoromethyl)cyclohexane-1-carboxamide
CID 130645581

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)cyclododecan-1-amine?
The IUPAC name of 1-(difluoromethyl)cyclododecan-1-amine (CID 80605370) is 1-(difluoromethyl)cyclododecan-1-amine.
What is the SMILES notation for 1-(difluoromethyl)cyclododecan-1-amine?
The canonical SMILES for 1-(difluoromethyl)cyclododecan-1-amine is NC1(C(F)F)CCCCCCCCCCC1.
What is the InChIKey of 1-(difluoromethyl)cyclododecan-1-amine?
The InChIKey is POGPCRFJSAAUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2N/c14-12(15)13(16)10-8-6-4-2-1-3-5-7-9-11-13/h12H,1-11,16H2.
What are the key properties of 1-(difluoromethyl)cyclododecan-1-amine?
1-(difluoromethyl)cyclododecan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)cyclododecan-1-amine is sourced from PubChem (CID 80605370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).