2-(3,5-difluorophenyl)spiro[3.4]octan-2-amine

C14H17F2N — CID 65003020

IUPAC2-(3,5-difluorophenyl)spiro[3.4]octan-2-amine
SMILESNC1(c2cc(F)cc(F)c2)CC2(CCCC2)C1
InChIInChI=1S/C14H17F2N/c15-11-5-10(6-12(16)7-11)14(17)8-13(9-14)3-1-2-4-13/h5-7H,1-4,8-9,17H2
InChIKeyMMHMRQFAKUGPCG-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.47
Rot. Bonds1

About 2-(3,5-difluorophenyl)spiro[3.4]octan-2-amine

2-(3,5-difluorophenyl)spiro[3.4]octan-2-amine (PubChem CID 65003020) has the molecular formula C14H17F2N and a molecular weight of 237.29 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)spiro[3.4]octan-2-amine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)spiro[3.4]octan-2-amine
PubChem CID65003020
Molecular FormulaC14H17F2N
Molecular Weight237.29 g/mol
Exact Mass237.13
IUPAC Name2-(3,5-difluorophenyl)spiro[3.4]octan-2-amine
SMILESNC1(c2cc(F)cc(F)c2)CC2(CCCC2)C1
InChIInChI=1S/C14H17F2N/c15-11-5-10(6-12(16)7-11)14(17)8-13(9-14)3-1-2-4-13/h5-7H,1-4,8-9,17H2
InChIKeyMMHMRQFAKUGPCG-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)spiro[3.4]octan-2-amine?
The IUPAC name of 2-(3,5-difluorophenyl)spiro[3.4]octan-2-amine (CID 65003020) is 2-(3,5-difluorophenyl)spiro[3.4]octan-2-amine.
What is the SMILES notation for 2-(3,5-difluorophenyl)spiro[3.4]octan-2-amine?
The canonical SMILES for 2-(3,5-difluorophenyl)spiro[3.4]octan-2-amine is NC1(c2cc(F)cc(F)c2)CC2(CCCC2)C1.
What is the InChIKey of 2-(3,5-difluorophenyl)spiro[3.4]octan-2-amine?
The InChIKey is MMHMRQFAKUGPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N/c15-11-5-10(6-12(16)7-11)14(17)8-13(9-14)3-1-2-4-13/h5-7H,1-4,8-9,17H2.
What are the key properties of 2-(3,5-difluorophenyl)spiro[3.4]octan-2-amine?
2-(3,5-difluorophenyl)spiro[3.4]octan-2-amine has a molecular weight of 237.29 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)spiro[3.4]octan-2-amine is sourced from PubChem (CID 65003020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).