3-[(2,3-dimethylcyclopentyl)amino]-1,1,1-trifluoropropan-2-ol

C10H18F3NO — CID 64909367

IUPAC3-[(2,3-dimethylcyclopentyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCC1CCC(NCC(O)C(F)(F)F)C1C
InChIInChI=1S/C10H18F3NO/c1-6-3-4-8(7(6)2)14-5-9(15)10(11,12)13/h6-9,14-15H,3-5H2,1-2H3
InChIKeyTZFPZBRCTZUSHI-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.93
Rot. Bonds3

About 3-[(2,3-dimethylcyclopentyl)amino]-1,1,1-trifluoropropan-2-ol

3-[(2,3-dimethylcyclopentyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 64909367) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[(2,3-dimethylcyclopentyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(2,3-dimethylcyclopentyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID64909367
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name3-[(2,3-dimethylcyclopentyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCC1CCC(NCC(O)C(F)(F)F)C1C
InChIInChI=1S/C10H18F3NO/c1-6-3-4-8(7(6)2)14-5-9(15)10(11,12)13/h6-9,14-15H,3-5H2,1-2H3
InChIKeyTZFPZBRCTZUSHI-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylcyclopentyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(2,3-dimethylcyclopentyl)amino]-1,1,1-trifluoropropan-2-ol (CID 64909367) is 3-[(2,3-dimethylcyclopentyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(2,3-dimethylcyclopentyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(2,3-dimethylcyclopentyl)amino]-1,1,1-trifluoropropan-2-ol is CC1CCC(NCC(O)C(F)(F)F)C1C.
What is the InChIKey of 3-[(2,3-dimethylcyclopentyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is TZFPZBRCTZUSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-6-3-4-8(7(6)2)14-5-9(15)10(11,12)13/h6-9,14-15H,3-5H2,1-2H3.
What are the key properties of 3-[(2,3-dimethylcyclopentyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(2,3-dimethylcyclopentyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 225.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylcyclopentyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 64909367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).