(2S)-3-(difluoromethylidene)-2-methyl-1-propan-2-ylazetidine

C8H13F2N — CID 178088350

IUPAC(2S)-3-(difluoromethylidene)-2-methyl-1-propan-2-ylazetidine
SMILESCC(C)N1CC(=C(F)F)[C@@H]1C
InChIInChI=1S/C8H13F2N/c1-5(2)11-4-7(6(11)3)8(9)10/h5-6H,4H2,1-3H3/t6-/m0/s1
InChIKeyRMEYVSNQFSVVPW-LURJTMIESA-N
MW161.19 g/mol
LogP2.25
Rot. Bonds1

About (2S)-3-(difluoromethylidene)-2-methyl-1-propan-2-ylazetidine

(2S)-3-(difluoromethylidene)-2-methyl-1-propan-2-ylazetidine (PubChem CID 178088350) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is (2S)-3-(difluoromethylidene)-2-methyl-1-propan-2-ylazetidine.

Molecular Properties

Compound Name(2S)-3-(difluoromethylidene)-2-methyl-1-propan-2-ylazetidine
PubChem CID178088350
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name(2S)-3-(difluoromethylidene)-2-methyl-1-propan-2-ylazetidine
SMILESCC(C)N1CC(=C(F)F)[C@@H]1C
InChIInChI=1S/C8H13F2N/c1-5(2)11-4-7(6(11)3)8(9)10/h5-6H,4H2,1-3H3/t6-/m0/s1
InChIKeyRMEYVSNQFSVVPW-LURJTMIESA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(difluoromethylidene)-2-methyl-1-propan-2-ylazetidine?
The IUPAC name of (2S)-3-(difluoromethylidene)-2-methyl-1-propan-2-ylazetidine (CID 178088350) is (2S)-3-(difluoromethylidene)-2-methyl-1-propan-2-ylazetidine.
What is the SMILES notation for (2S)-3-(difluoromethylidene)-2-methyl-1-propan-2-ylazetidine?
The canonical SMILES for (2S)-3-(difluoromethylidene)-2-methyl-1-propan-2-ylazetidine is CC(C)N1CC(=C(F)F)[C@@H]1C.
What is the InChIKey of (2S)-3-(difluoromethylidene)-2-methyl-1-propan-2-ylazetidine?
The InChIKey is RMEYVSNQFSVVPW-LURJTMIESA-N. The full InChI is InChI=1S/C8H13F2N/c1-5(2)11-4-7(6(11)3)8(9)10/h5-6H,4H2,1-3H3/t6-/m0/s1.
What are the key properties of (2S)-3-(difluoromethylidene)-2-methyl-1-propan-2-ylazetidine?
(2S)-3-(difluoromethylidene)-2-methyl-1-propan-2-ylazetidine has a molecular weight of 161.19 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(difluoromethylidene)-2-methyl-1-propan-2-ylazetidine is sourced from PubChem (CID 178088350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).