4,5-difluoro-2,3,7,7a-tetrahydro-1H-inden-1-amine

C9H11F2N — CID 163953286

IUPAC4,5-difluoro-2,3,7,7a-tetrahydro-1H-inden-1-amine
SMILESNC1CCC2=C(F)C(F)=CCC21
InChIInChI=1S/C9H11F2N/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h3,5,8H,1-2,4,12H2
InChIKeySBEQVAPMWGDKLK-UHFFFAOYSA-N
MW171.19 g/mol
LogP2.20
Rot. Bonds

About 4,5-difluoro-2,3,7,7a-tetrahydro-1H-inden-1-amine

4,5-difluoro-2,3,7,7a-tetrahydro-1H-inden-1-amine (PubChem CID 163953286) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is 4,5-difluoro-2,3,7,7a-tetrahydro-1H-inden-1-amine.

Molecular Properties

Compound Name4,5-difluoro-2,3,7,7a-tetrahydro-1H-inden-1-amine
PubChem CID163953286
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC Name4,5-difluoro-2,3,7,7a-tetrahydro-1H-inden-1-amine
SMILESNC1CCC2=C(F)C(F)=CCC21
InChIInChI=1S/C9H11F2N/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h3,5,8H,1-2,4,12H2
InChIKeySBEQVAPMWGDKLK-UHFFFAOYSA-N
XLogP2.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-2,3,3a,4,5,6-hexahydro-1H-inden-5-amine
CID 89073624
cis-(1R,2R)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)cyclopentan-1-amine
CID 89176002
1-(3,4,5-Trifluorocyclohexa-2,4-dien-1-yl)butan-1-amine
CID 91359749
3-(Cyclopentylidenemethyl)-5-(trifluoromethyl)cyclohex-2-en-1-amine
CID 123256765
2,3,3a,4-tetrahydro-1H-inden-2-amine
CID 68342103
2,3,7,7a-tetrahydro-1H-inden-1-amine
CID 129268869
2,3,3a,4-tetrahydro-1H-inden-4-amine
CID 135135138
2,3,3a,4-tetrahydro-1H-inden-1-amine
CID 141380686

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2,3,7,7a-tetrahydro-1H-inden-1-amine?
The IUPAC name of 4,5-difluoro-2,3,7,7a-tetrahydro-1H-inden-1-amine (CID 163953286) is 4,5-difluoro-2,3,7,7a-tetrahydro-1H-inden-1-amine.
What is the SMILES notation for 4,5-difluoro-2,3,7,7a-tetrahydro-1H-inden-1-amine?
The canonical SMILES for 4,5-difluoro-2,3,7,7a-tetrahydro-1H-inden-1-amine is NC1CCC2=C(F)C(F)=CCC21.
What is the InChIKey of 4,5-difluoro-2,3,7,7a-tetrahydro-1H-inden-1-amine?
The InChIKey is SBEQVAPMWGDKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N/c10-7-3-1-5-6(9(7)11)2-4-8(5)12/h3,5,8H,1-2,4,12H2.
What are the key properties of 4,5-difluoro-2,3,7,7a-tetrahydro-1H-inden-1-amine?
4,5-difluoro-2,3,7,7a-tetrahydro-1H-inden-1-amine has a molecular weight of 171.19 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2,3,7,7a-tetrahydro-1H-inden-1-amine is sourced from PubChem (CID 163953286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).