(4S)-8,8-difluoro-2-methylspiro[2.5]octan-4-amine

C9H15F2N — CID 163681403

IUPAC(4S)-8,8-difluoro-2-methylspiro[2.5]octan-4-amine
SMILESCC1CC12[C@@H](N)CCCC2(F)F
InChIInChI=1S/C9H15F2N/c1-6-5-8(6)7(12)3-2-4-9(8,10)11/h6-7H,2-5,12H2,1H3/t6?,7-,8?/m0/s1
InChIKeyJLDLQUITZCJECR-WTIBDHCWSA-N
MW175.22 g/mol
LogP2.16
Rot. Bonds

About (4S)-8,8-difluoro-2-methylspiro[2.5]octan-4-amine

(4S)-8,8-difluoro-2-methylspiro[2.5]octan-4-amine (PubChem CID 163681403) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is (4S)-8,8-difluoro-2-methylspiro[2.5]octan-4-amine.

Molecular Properties

Compound Name(4S)-8,8-difluoro-2-methylspiro[2.5]octan-4-amine
PubChem CID163681403
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name(4S)-8,8-difluoro-2-methylspiro[2.5]octan-4-amine
SMILESCC1CC12[C@@H](N)CCCC2(F)F
InChIInChI=1S/C9H15F2N/c1-6-5-8(6)7(12)3-2-4-9(8,10)11/h6-7H,2-5,12H2,1H3/t6?,7-,8?/m0/s1
InChIKeyJLDLQUITZCJECR-WTIBDHCWSA-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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Frequently Asked Questions

What is the IUPAC name of (4S)-8,8-difluoro-2-methylspiro[2.5]octan-4-amine?
The IUPAC name of (4S)-8,8-difluoro-2-methylspiro[2.5]octan-4-amine (CID 163681403) is (4S)-8,8-difluoro-2-methylspiro[2.5]octan-4-amine.
What is the SMILES notation for (4S)-8,8-difluoro-2-methylspiro[2.5]octan-4-amine?
The canonical SMILES for (4S)-8,8-difluoro-2-methylspiro[2.5]octan-4-amine is CC1CC12[C@@H](N)CCCC2(F)F.
What is the InChIKey of (4S)-8,8-difluoro-2-methylspiro[2.5]octan-4-amine?
The InChIKey is JLDLQUITZCJECR-WTIBDHCWSA-N. The full InChI is InChI=1S/C9H15F2N/c1-6-5-8(6)7(12)3-2-4-9(8,10)11/h6-7H,2-5,12H2,1H3/t6?,7-,8?/m0/s1.
What are the key properties of (4S)-8,8-difluoro-2-methylspiro[2.5]octan-4-amine?
(4S)-8,8-difluoro-2-methylspiro[2.5]octan-4-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 (4S)-8,8-difluoro-2-methylspiro[2.5]octan-4-amine is sourced from PubChem (CID 163681403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).