6,6-difluoro-1-propan-2-ylazepan-3-ol;ethane

C11H23F2NO — CID 178173556

IUPAC6,6-difluoro-1-propan-2-ylazepan-3-ol;ethane
SMILESCC.CC(C)N1CC(O)CCC(F)(F)C1
InChIInChI=1S/C9H17F2NO.C2H6/c1-7(2)12-5-8(13)3-4-9(10,11)6-12;1-2/h7-8,13H,3-6H2,1-2H3;1-2H3
InChIKeyPAQZKVKSYBOCGL-UHFFFAOYSA-N
MW223.31 g/mol
LogP2.51
Rot. Bonds1

About 6,6-difluoro-1-propan-2-ylazepan-3-ol;ethane

6,6-difluoro-1-propan-2-ylazepan-3-ol;ethane (PubChem CID 178173556) has the molecular formula C11H23F2NO and a molecular weight of 223.31 g/mol. Its IUPAC name is 6,6-difluoro-1-propan-2-ylazepan-3-ol;ethane.

Molecular Properties

Compound Name6,6-difluoro-1-propan-2-ylazepan-3-ol;ethane
PubChem CID178173556
Molecular FormulaC11H23F2NO
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC Name6,6-difluoro-1-propan-2-ylazepan-3-ol;ethane
SMILESCC.CC(C)N1CC(O)CCC(F)(F)C1
InChIInChI=1S/C9H17F2NO.C2H6/c1-7(2)12-5-8(13)3-4-9(10,11)6-12;1-2/h7-8,13H,3-6H2,1-2H3;1-2H3
InChIKeyPAQZKVKSYBOCGL-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 87796724
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(1R)-2,2,2-trifluoro-1-[(2S)-1-methylpyrrolidin-2-yl]ethanol
CID 102405621
4-Fluoro-1-methylazepan-3-ol
CID 118230227
5-Fluoro-1-methylazepan-3-ol
CID 118230236
6-Fluoro-1-methylazepan-3-ol
CID 118230237
1-[(2R)-4,4-difluoro-1-heptan-4-ylpyrrolidin-2-yl]ethanol
CID 129190742
5,5-Difluoro-1-propan-2-ylazepan-4-ol
CID 139302341
4-Fluoro-1-propan-2-ylazepan-3-ol
CID 139302343
6-Fluoro-1-propan-2-ylazepan-3-ol
CID 139302568
1-Ethyl-4-fluoroazepan-3-ol
CID 139302573
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CID 144890495

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-1-propan-2-ylazepan-3-ol;ethane?
The IUPAC name of 6,6-difluoro-1-propan-2-ylazepan-3-ol;ethane (CID 178173556) is 6,6-difluoro-1-propan-2-ylazepan-3-ol;ethane.
What is the SMILES notation for 6,6-difluoro-1-propan-2-ylazepan-3-ol;ethane?
The canonical SMILES for 6,6-difluoro-1-propan-2-ylazepan-3-ol;ethane is CC.CC(C)N1CC(O)CCC(F)(F)C1.
What is the InChIKey of 6,6-difluoro-1-propan-2-ylazepan-3-ol;ethane?
The InChIKey is PAQZKVKSYBOCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO.C2H6/c1-7(2)12-5-8(13)3-4-9(10,11)6-12;1-2/h7-8,13H,3-6H2,1-2H3;1-2H3.
What are the key properties of 6,6-difluoro-1-propan-2-ylazepan-3-ol;ethane?
6,6-difluoro-1-propan-2-ylazepan-3-ol;ethane has a molecular weight of 223.31 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-1-propan-2-ylazepan-3-ol;ethane is sourced from PubChem (CID 178173556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).