2-(3,3-difluorocyclobutyl)azepane

C10H17F2N — CID 130834422

IUPAC2-(3,3-difluorocyclobutyl)azepane
SMILESFC1(F)CC(C2CCCCCN2)C1
InChIInChI=1S/C10H17F2N/c11-10(12)6-8(7-10)9-4-2-1-3-5-13-9/h8-9,13H,1-7H2
InChIKeyKAUBGQFTACGQRM-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.56
Rot. Bonds1

About 2-(3,3-difluorocyclobutyl)azepane

2-(3,3-difluorocyclobutyl)azepane (PubChem CID 130834422) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-(3,3-difluorocyclobutyl)azepane.

Molecular Properties

Compound Name2-(3,3-difluorocyclobutyl)azepane
PubChem CID130834422
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name2-(3,3-difluorocyclobutyl)azepane
SMILESFC1(F)CC(C2CCCCCN2)C1
InChIInChI=1S/C10H17F2N/c11-10(12)6-8(7-10)9-4-2-1-3-5-13-9/h8-9,13H,1-7H2
InChIKeyKAUBGQFTACGQRM-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine
CID 92720077
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane
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CID 83404287
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2-cycloheptylpyrrolidine;hydrochloride
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2-cyclopentylpyrrolidine
CID 4031549
2-pyrrolidin-2-ylpiperidine
CID 14810994
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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclobutyl)azepane?
The IUPAC name of 2-(3,3-difluorocyclobutyl)azepane (CID 130834422) is 2-(3,3-difluorocyclobutyl)azepane.
What is the SMILES notation for 2-(3,3-difluorocyclobutyl)azepane?
The canonical SMILES for 2-(3,3-difluorocyclobutyl)azepane is FC1(F)CC(C2CCCCCN2)C1.
What is the InChIKey of 2-(3,3-difluorocyclobutyl)azepane?
The InChIKey is KAUBGQFTACGQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c11-10(12)6-8(7-10)9-4-2-1-3-5-13-9/h8-9,13H,1-7H2.
What are the key properties of 2-(3,3-difluorocyclobutyl)azepane?
2-(3,3-difluorocyclobutyl)azepane has a molecular weight of 189.25 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclobutyl)azepane is sourced from PubChem (CID 130834422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).