4-amino-2-cyclopentyl-1,1,1-trifluorobutan-2-ol

C9H16F3NO — CID 83916808

IUPAC4-amino-2-cyclopentyl-1,1,1-trifluorobutan-2-ol
SMILESNCCC(O)(C1CCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)8(14,5-6-13)7-3-1-2-4-7/h7,14H,1-6,13H2
InChIKeyVTCOKSQLMYBDMJ-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.82
Rot. Bonds3

About 4-amino-2-cyclopentyl-1,1,1-trifluorobutan-2-ol

4-amino-2-cyclopentyl-1,1,1-trifluorobutan-2-ol (PubChem CID 83916808) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-amino-2-cyclopentyl-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name4-amino-2-cyclopentyl-1,1,1-trifluorobutan-2-ol
PubChem CID83916808
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4-amino-2-cyclopentyl-1,1,1-trifluorobutan-2-ol
SMILESNCCC(O)(C1CCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)8(14,5-6-13)7-3-1-2-4-7/h7,14H,1-6,13H2
InChIKeyVTCOKSQLMYBDMJ-UHFFFAOYSA-N
XLogP1.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyclopentyl-1,1,1-trifluorobutan-2-ol?
The IUPAC name of 4-amino-2-cyclopentyl-1,1,1-trifluorobutan-2-ol (CID 83916808) is 4-amino-2-cyclopentyl-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for 4-amino-2-cyclopentyl-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for 4-amino-2-cyclopentyl-1,1,1-trifluorobutan-2-ol is NCCC(O)(C1CCCC1)C(F)(F)F.
What is the InChIKey of 4-amino-2-cyclopentyl-1,1,1-trifluorobutan-2-ol?
The InChIKey is VTCOKSQLMYBDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)8(14,5-6-13)7-3-1-2-4-7/h7,14H,1-6,13H2.
What are the key properties of 4-amino-2-cyclopentyl-1,1,1-trifluorobutan-2-ol?
4-amino-2-cyclopentyl-1,1,1-trifluorobutan-2-ol has a molecular weight of 211.23 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyclopentyl-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 83916808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).