5-(2,2-difluoroethylamino)-2-methylpentan-1-ol

C8H17F2NO — CID 106160199

IUPAC5-(2,2-difluoroethylamino)-2-methylpentan-1-ol
SMILESCC(CO)CCCNCC(F)F
InChIInChI=1S/C8H17F2NO/c1-7(6-12)3-2-4-11-5-8(9)10/h7-8,11-12H,2-6H2,1H3
InChIKeyCXITUKIEJYNMPZ-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.25
Rot. Bonds7

About 5-(2,2-difluoroethylamino)-2-methylpentan-1-ol

5-(2,2-difluoroethylamino)-2-methylpentan-1-ol (PubChem CID 106160199) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 5-(2,2-difluoroethylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-(2,2-difluoroethylamino)-2-methylpentan-1-ol
PubChem CID106160199
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name5-(2,2-difluoroethylamino)-2-methylpentan-1-ol
SMILESCC(CO)CCCNCC(F)F
InChIInChI=1S/C8H17F2NO/c1-7(6-12)3-2-4-11-5-8(9)10/h7-8,11-12H,2-6H2,1H3
InChIKeyCXITUKIEJYNMPZ-UHFFFAOYSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4,4-Difluoropiperidin-3-yl)methanol
CID 67371998
(4,4-Difluoropiperidin-3-yl)methanol hydrochloride
CID 67371997
(5,5-Difluoropiperidin-3-yl)methanol
CID 84072882
(4,4-Difluoro-piperidin-3-yl)-methanol chloride
CID 86657793
2,2,2-trifluoro-N-(5-hydroxy-2-methylpentyl)acetamide
CID 87580737
N-[5,5,5-trifluoro-4-(hydroxymethyl)pentyl]acetamide
CID 88125185
(R)-(4,4-Difluoropiperidin-3-yl)methanol
CID 97291477
(S)-(4,4-Difluoropiperidin-3-yl)methanol
CID 97291478
(R)-(5,5-Difluoropiperidin-3-yl)methanol
CID 97357066
(5,5-Difluoropiperidin-3-yl)methanol hydrochloride
CID 118798393
3,3-Difluoro-5-(methylamino)pentan-1-ol
CID 134297406
(4,4-Difluoro-5-methylpiperidin-3-yl)methanol
CID 139343534

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethylamino)-2-methylpentan-1-ol?
The IUPAC name of 5-(2,2-difluoroethylamino)-2-methylpentan-1-ol (CID 106160199) is 5-(2,2-difluoroethylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 5-(2,2-difluoroethylamino)-2-methylpentan-1-ol?
The canonical SMILES for 5-(2,2-difluoroethylamino)-2-methylpentan-1-ol is CC(CO)CCCNCC(F)F.
What is the InChIKey of 5-(2,2-difluoroethylamino)-2-methylpentan-1-ol?
The InChIKey is CXITUKIEJYNMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-7(6-12)3-2-4-11-5-8(9)10/h7-8,11-12H,2-6H2,1H3.
What are the key properties of 5-(2,2-difluoroethylamino)-2-methylpentan-1-ol?
5-(2,2-difluoroethylamino)-2-methylpentan-1-ol has a molecular weight of 181.23 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 106160199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).