4-(diethylamino)-1-(3,3-difluorocyclopentyl)butan-2-ol

C13H25F2NO — CID 114224707

IUPAC4-(diethylamino)-1-(3,3-difluorocyclopentyl)butan-2-ol
SMILESCCN(CC)CCC(O)CC1CCC(F)(F)C1
InChIInChI=1S/C13H25F2NO/c1-3-16(4-2)8-6-12(17)9-11-5-7-13(14,15)10-11/h11-12,17H,3-10H2,1-2H3
InChIKeyIEKMTPCONWHIAP-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.90
Rot. Bonds7

About 4-(diethylamino)-1-(3,3-difluorocyclopentyl)butan-2-ol

4-(diethylamino)-1-(3,3-difluorocyclopentyl)butan-2-ol (PubChem CID 114224707) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-(diethylamino)-1-(3,3-difluorocyclopentyl)butan-2-ol.

Molecular Properties

Compound Name4-(diethylamino)-1-(3,3-difluorocyclopentyl)butan-2-ol
PubChem CID114224707
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name4-(diethylamino)-1-(3,3-difluorocyclopentyl)butan-2-ol
SMILESCCN(CC)CCC(O)CC1CCC(F)(F)C1
InChIInChI=1S/C13H25F2NO/c1-3-16(4-2)8-6-12(17)9-11-5-7-13(14,15)10-11/h11-12,17H,3-10H2,1-2H3
InChIKeyIEKMTPCONWHIAP-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-1-(3,3-difluorocyclopentyl)butan-2-ol?
The IUPAC name of 4-(diethylamino)-1-(3,3-difluorocyclopentyl)butan-2-ol (CID 114224707) is 4-(diethylamino)-1-(3,3-difluorocyclopentyl)butan-2-ol.
What is the SMILES notation for 4-(diethylamino)-1-(3,3-difluorocyclopentyl)butan-2-ol?
The canonical SMILES for 4-(diethylamino)-1-(3,3-difluorocyclopentyl)butan-2-ol is CCN(CC)CCC(O)CC1CCC(F)(F)C1.
What is the InChIKey of 4-(diethylamino)-1-(3,3-difluorocyclopentyl)butan-2-ol?
The InChIKey is IEKMTPCONWHIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-3-16(4-2)8-6-12(17)9-11-5-7-13(14,15)10-11/h11-12,17H,3-10H2,1-2H3.
What are the key properties of 4-(diethylamino)-1-(3,3-difluorocyclopentyl)butan-2-ol?
4-(diethylamino)-1-(3,3-difluorocyclopentyl)butan-2-ol has a molecular weight of 249.34 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-1-(3,3-difluorocyclopentyl)butan-2-ol is sourced from PubChem (CID 114224707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).