2-[di(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol

C9H18F3NO — CID 176871738

IUPAC2-[di(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol
SMILESCC(C)N(C(C)C)C(CO)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-6(2)13(7(3)4)8(5-14)9(10,11)12/h6-8,14H,5H2,1-4H3
InChIKeyVRBUURMXRHYIBM-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.03
Rot. Bonds4

About 2-[di(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol

2-[di(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol (PubChem CID 176871738) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[di(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name2-[di(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol
PubChem CID176871738
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name2-[di(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol
SMILESCC(C)N(C(C)C)C(CO)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-6(2)13(7(3)4)8(5-14)9(10,11)12/h6-8,14H,5H2,1-4H3
InChIKeyVRBUURMXRHYIBM-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 2-[di(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol (CID 176871738) is 2-[di(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 2-[di(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 2-[di(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol is CC(C)N(C(C)C)C(CO)C(F)(F)F.
What is the InChIKey of 2-[di(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol?
The InChIKey is VRBUURMXRHYIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-6(2)13(7(3)4)8(5-14)9(10,11)12/h6-8,14H,5H2,1-4H3.
What are the key properties of 2-[di(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol?
2-[di(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol has a molecular weight of 213.24 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 176871738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).