1-amino-5,5,5-trifluoropentan-2-ol

C5H10F3NO — CID 53415823

IUPAC1-amino-5,5,5-trifluoropentan-2-ol
SMILESNCC(O)CCC(F)(F)F
InChIInChI=1S/C5H10F3NO/c6-5(7,8)2-1-4(10)3-9/h4,10H,1-3,9H2
InChIKeyTWWZAJFYHWSJHX-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.65
Rot. Bonds3

About 1-amino-5,5,5-trifluoropentan-2-ol

1-amino-5,5,5-trifluoropentan-2-ol (PubChem CID 53415823) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 1-amino-5,5,5-trifluoropentan-2-ol.

Molecular Properties

Compound Name1-amino-5,5,5-trifluoropentan-2-ol
PubChem CID53415823
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name1-amino-5,5,5-trifluoropentan-2-ol
SMILESNCC(O)CCC(F)(F)F
InChIInChI=1S/C5H10F3NO/c6-5(7,8)2-1-4(10)3-9/h4,10H,1-3,9H2
InChIKeyTWWZAJFYHWSJHX-UHFFFAOYSA-N
XLogP0.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Aminopentan-2-ol
CID 95299
1-Amino-3,3,4,4,5,5,5-heptafluoro-2-pentanol
CID 268358
1-Amino-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol
CID 14914914
2-Amino-4,4,5,5,6,6,6-heptafluorohexan-3-ol
CID 62948392
4-Amino-1,1,1-trifluorobutan-2-ol
CID 11205810
1-Amino-4,4,4-trifluorobutan-2-ol hydrochloride
CID 86238921
4-Amino-1,1-difluorobutan-2-ol
CID 89933245
5-Amino-1,1,1,2,2,3,3-heptafluoroheptan-4-ol
CID 418964
3-Amino-1,1-difluoropentan-2-ol hydrochloride
CID 121552371
1-Amino-5,5,5-trifluoropentan-2-ol hydrochloride
CID 167715338
3-Amino-1,1,1-trifluoropentan-2-ol
CID 10725607
3,6-Diamino-1,1,1-trifluorohexan-2-ol
CID 15344721

Frequently Asked Questions

What is the IUPAC name of 1-amino-5,5,5-trifluoropentan-2-ol?
The IUPAC name of 1-amino-5,5,5-trifluoropentan-2-ol (CID 53415823) is 1-amino-5,5,5-trifluoropentan-2-ol.
What is the SMILES notation for 1-amino-5,5,5-trifluoropentan-2-ol?
The canonical SMILES for 1-amino-5,5,5-trifluoropentan-2-ol is NCC(O)CCC(F)(F)F.
What is the InChIKey of 1-amino-5,5,5-trifluoropentan-2-ol?
The InChIKey is TWWZAJFYHWSJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c6-5(7,8)2-1-4(10)3-9/h4,10H,1-3,9H2.
What are the key properties of 1-amino-5,5,5-trifluoropentan-2-ol?
1-amino-5,5,5-trifluoropentan-2-ol has a molecular weight of 157.13 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5,5,5-trifluoropentan-2-ol is sourced from PubChem (CID 53415823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).