4-(difluoromethyl)spiro[4.4]nonan-4-amine

C10H17F2N — CID 130605016

IUPAC4-(difluoromethyl)spiro[4.4]nonan-4-amine
SMILESNC1(C(F)F)CCCC12CCCC2
InChIInChI=1S/C10H17F2N/c11-8(12)10(13)7-3-6-9(10)4-1-2-5-9/h8H,1-7,13H2
InChIKeyXWLBHFYRKADGML-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.69
Rot. Bonds1

About 4-(difluoromethyl)spiro[4.4]nonan-4-amine

4-(difluoromethyl)spiro[4.4]nonan-4-amine (PubChem CID 130605016) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 4-(difluoromethyl)spiro[4.4]nonan-4-amine.

Molecular Properties

Compound Name4-(difluoromethyl)spiro[4.4]nonan-4-amine
PubChem CID130605016
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name4-(difluoromethyl)spiro[4.4]nonan-4-amine
SMILESNC1(C(F)F)CCCC12CCCC2
InChIInChI=1S/C10H17F2N/c11-8(12)10(13)7-3-6-9(10)4-1-2-5-9/h8H,1-7,13H2
InChIKeyXWLBHFYRKADGML-UHFFFAOYSA-N
XLogP2.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethyl)-2,2-difluorocyclohexan-1-amine
CID 167721400
1-(difluoromethyl)-2,2-difluorocyclopentan-1-amine
CID 167721084
1-(difluoromethyl)cyclooctan-1-amine
CID 80604781
1-(difluoromethyl)cyclododecan-1-amine
CID 80605370
1-(difluoromethyl)cyclopropan-1-amine;hydrochloride
CID 91663075
1-(difluoromethyl)-N-methylcyclobutan-1-amine
CID 80610713
1-(difluoromethyl)cyclopentane-1-carbaldehyde
CID 84763056
1-(2,2-difluoroethyl)cyclobutan-1-amine
CID 115011284
1-(difluoromethyl)-1-methylcyclopentane
CID 134531916
1-(1-aminoethyl)-2,2-dimethylcyclopentan-1-amine
CID 146176674
6,6-dimethyldispiro[4.1.47.35]tetradecane
CID 123325796
1-(difluoromethyl)cyclohexane-1-carboxamide
CID 130645581

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)spiro[4.4]nonan-4-amine?
The IUPAC name of 4-(difluoromethyl)spiro[4.4]nonan-4-amine (CID 130605016) is 4-(difluoromethyl)spiro[4.4]nonan-4-amine.
What is the SMILES notation for 4-(difluoromethyl)spiro[4.4]nonan-4-amine?
The canonical SMILES for 4-(difluoromethyl)spiro[4.4]nonan-4-amine is NC1(C(F)F)CCCC12CCCC2.
What is the InChIKey of 4-(difluoromethyl)spiro[4.4]nonan-4-amine?
The InChIKey is XWLBHFYRKADGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c11-8(12)10(13)7-3-6-9(10)4-1-2-5-9/h8H,1-7,13H2.
What are the key properties of 4-(difluoromethyl)spiro[4.4]nonan-4-amine?
4-(difluoromethyl)spiro[4.4]nonan-4-amine has a molecular weight of 189.25 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)spiro[4.4]nonan-4-amine is sourced from PubChem (CID 130605016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).