9,9-difluorobicyclo[3.3.1]nonan-3-amine

C9H15F2N — CID 154848948

IUPAC9,9-difluorobicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)C2(F)F
InChIInChI=1S/C9H15F2N/c10-9(11)6-2-1-3-7(9)5-8(12)4-6/h6-8H,1-5,12H2
InChIKeyHZAVGZANEBHWEK-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.16
Rot. Bonds

About 9,9-difluorobicyclo[3.3.1]nonan-3-amine

9,9-difluorobicyclo[3.3.1]nonan-3-amine (PubChem CID 154848948) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 9,9-difluorobicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9,9-difluorobicyclo[3.3.1]nonan-3-amine
PubChem CID154848948
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name9,9-difluorobicyclo[3.3.1]nonan-3-amine
SMILESNC1CC2CCCC(C1)C2(F)F
InChIInChI=1S/C9H15F2N/c10-9(11)6-2-1-3-7(9)5-8(12)4-6/h6-8H,1-5,12H2
InChIKeyHZAVGZANEBHWEK-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7,7-difluorobicyclo[2.2.1]heptan-2-amine
CID 71758529
5,5-difluoro-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-amine
CID 105431578
trans-(1S,3S)-3-fluorocyclohexan-1-amine
CID 86333917
cis-(1R,3S)-3-fluorocyclohexan-1-amine
CID 86333919
(1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane
CID 91146278
9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-amine
CID 171951254
7,7-difluorobicyclo[2.2.1]heptane-2,5-diamine
CID 21301277
(3S,4S)-7,7-difluorobicyclo[4.1.0]heptane-3,4-diamine
CID 134438278
bicyclo[3.2.0]heptan-3-amine
CID 53402094
3-(bromomethyl)cyclohexan-1-amine
CID 89245957
(1S,5R)-3-aminobicyclo[3.3.1]nonan-9-one
CID 97033379
8-cyclobutyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740544

Frequently Asked Questions

What is the IUPAC name of 9,9-difluorobicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9,9-difluorobicyclo[3.3.1]nonan-3-amine (CID 154848948) is 9,9-difluorobicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9,9-difluorobicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9,9-difluorobicyclo[3.3.1]nonan-3-amine is NC1CC2CCCC(C1)C2(F)F.
What is the InChIKey of 9,9-difluorobicyclo[3.3.1]nonan-3-amine?
The InChIKey is HZAVGZANEBHWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c10-9(11)6-2-1-3-7(9)5-8(12)4-6/h6-8H,1-5,12H2.
What are the key properties of 9,9-difluorobicyclo[3.3.1]nonan-3-amine?
9,9-difluorobicyclo[3.3.1]nonan-3-amine has a molecular weight of 175.22 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-difluorobicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 154848948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).