3-amino-6,6,7,7,7-pentafluoro-2-methylheptan-2-ol

C8H14F5NO — CID 90119324

IUPAC3-amino-6,6,7,7,7-pentafluoro-2-methylheptan-2-ol
SMILESCC(C)(O)C(N)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H14F5NO/c1-6(2,15)5(14)3-4-7(9,10)8(11,12)13/h5,15H,3-4,14H2,1-2H3
InChIKeyWMYXEBSSAUGZFV-UHFFFAOYSA-N
MW235.20 g/mol
LogP2.06
Rot. Bonds4

About 3-amino-6,6,7,7,7-pentafluoro-2-methylheptan-2-ol

3-amino-6,6,7,7,7-pentafluoro-2-methylheptan-2-ol (PubChem CID 90119324) has the molecular formula C8H14F5NO and a molecular weight of 235.20 g/mol. Its IUPAC name is 3-amino-6,6,7,7,7-pentafluoro-2-methylheptan-2-ol.

Molecular Properties

Compound Name3-amino-6,6,7,7,7-pentafluoro-2-methylheptan-2-ol
PubChem CID90119324
Molecular FormulaC8H14F5NO
Molecular Weight235.20 g/mol
Exact Mass235.10
IUPAC Name3-amino-6,6,7,7,7-pentafluoro-2-methylheptan-2-ol
SMILESCC(C)(O)C(N)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H14F5NO/c1-6(2,15)5(14)3-4-7(9,10)8(11,12)13/h5,15H,3-4,14H2,1-2H3
InChIKeyWMYXEBSSAUGZFV-UHFFFAOYSA-N
XLogP2.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methylpentane-1,4-diol
CID 58522169
(2S)-2-amino-3-methylbutane-1,3-diol
CID 15780959
dimethyl 2-(3,3,4,4,4-pentafluorobutyl)propanedioate
CID 139808891
1,1,1,2,2-pentafluoro-6-methylheptane
CID 20579538
(3S)-3-amino-4-cyclopropyl-2-methylbutan-2-ol
CID 86674766
7-amino-2,4,8-trimethylnon-3-ene-2,8-diol
CID 173167800
benzyl N-[(3S)-6,6,7,7,7-pentafluoro-2-hydroxy-2-methylheptan-3-yl]carbamate
CID 129410876
3-amino-2-methyl-5-methylsulfanylhexan-2-ol
CID 134285920
(2R)-1,1,1,5,5,5-hexafluoropentan-2-amine
CID 171203128
1,1,1,2,2,5,5,6,6,9,9,10,10,10-tetradecafluorodecane
CID 607523
(2S)-1,1,1,5,5,5-hexafluoropentan-2-amine;hydrochloride
CID 171222694
6-(3,3,4,4,4-pentafluorobutyl)dodecane
CID 126695237

Frequently Asked Questions

What is the IUPAC name of 3-amino-6,6,7,7,7-pentafluoro-2-methylheptan-2-ol?
The IUPAC name of 3-amino-6,6,7,7,7-pentafluoro-2-methylheptan-2-ol (CID 90119324) is 3-amino-6,6,7,7,7-pentafluoro-2-methylheptan-2-ol.
What is the SMILES notation for 3-amino-6,6,7,7,7-pentafluoro-2-methylheptan-2-ol?
The canonical SMILES for 3-amino-6,6,7,7,7-pentafluoro-2-methylheptan-2-ol is CC(C)(O)C(N)CCC(F)(F)C(F)(F)F.
What is the InChIKey of 3-amino-6,6,7,7,7-pentafluoro-2-methylheptan-2-ol?
The InChIKey is WMYXEBSSAUGZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F5NO/c1-6(2,15)5(14)3-4-7(9,10)8(11,12)13/h5,15H,3-4,14H2,1-2H3.
What are the key properties of 3-amino-6,6,7,7,7-pentafluoro-2-methylheptan-2-ol?
3-amino-6,6,7,7,7-pentafluoro-2-methylheptan-2-ol has a molecular weight of 235.20 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6,6,7,7,7-pentafluoro-2-methylheptan-2-ol is sourced from PubChem (CID 90119324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).