3,3-difluoro-1-[(Z)-2-methylhex-3-en-3-yl]azetidine

C10H17F2N — CID 166960459

IUPAC3,3-difluoro-1-[(Z)-2-methylhex-3-en-3-yl]azetidine
SMILESCC/C=C(/C(C)C)N1CC(F)(F)C1
InChIInChI=1S/C10H17F2N/c1-4-5-9(8(2)3)13-6-10(11,12)7-13/h5,8H,4,6-7H2,1-3H3/b9-5-
InChIKeyHKVAVOJYEVZIMT-UITAMQMPSA-N
MW189.25 g/mol
LogP2.89
Rot. Bonds3

About 3,3-difluoro-1-[(Z)-2-methylhex-3-en-3-yl]azetidine

3,3-difluoro-1-[(Z)-2-methylhex-3-en-3-yl]azetidine (PubChem CID 166960459) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 3,3-difluoro-1-[(Z)-2-methylhex-3-en-3-yl]azetidine.

Molecular Properties

Compound Name3,3-difluoro-1-[(Z)-2-methylhex-3-en-3-yl]azetidine
PubChem CID166960459
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name3,3-difluoro-1-[(Z)-2-methylhex-3-en-3-yl]azetidine
SMILESCC/C=C(/C(C)C)N1CC(F)(F)C1
InChIInChI=1S/C10H17F2N/c1-4-5-9(8(2)3)13-6-10(11,12)7-13/h5,8H,4,6-7H2,1-3H3/b9-5-
InChIKeyHKVAVOJYEVZIMT-UITAMQMPSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[(Z)-2-methylhex-3-en-3-yl]azetidine?
The IUPAC name of 3,3-difluoro-1-[(Z)-2-methylhex-3-en-3-yl]azetidine (CID 166960459) is 3,3-difluoro-1-[(Z)-2-methylhex-3-en-3-yl]azetidine.
What is the SMILES notation for 3,3-difluoro-1-[(Z)-2-methylhex-3-en-3-yl]azetidine?
The canonical SMILES for 3,3-difluoro-1-[(Z)-2-methylhex-3-en-3-yl]azetidine is CC/C=C(/C(C)C)N1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-[(Z)-2-methylhex-3-en-3-yl]azetidine?
The InChIKey is HKVAVOJYEVZIMT-UITAMQMPSA-N. The full InChI is InChI=1S/C10H17F2N/c1-4-5-9(8(2)3)13-6-10(11,12)7-13/h5,8H,4,6-7H2,1-3H3/b9-5-.
What are the key properties of 3,3-difluoro-1-[(Z)-2-methylhex-3-en-3-yl]azetidine?
3,3-difluoro-1-[(Z)-2-methylhex-3-en-3-yl]azetidine has a molecular weight of 189.25 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[(Z)-2-methylhex-3-en-3-yl]azetidine is sourced from PubChem (CID 166960459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).