3-(dipropylamino)-1,1,1-trifluoropropan-2-ol

C9H18F3NO — CID 63899580

IUPAC3-(dipropylamino)-1,1,1-trifluoropropan-2-ol
SMILESCCCN(CCC)CC(O)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-3-5-13(6-4-2)7-8(14)9(10,11)12/h8,14H,3-7H2,1-2H3
InChIKeyZWGIXMLUJMRNOQ-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.03
Rot. Bonds6

About 3-(dipropylamino)-1,1,1-trifluoropropan-2-ol

3-(dipropylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 63899580) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-(dipropylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(dipropylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID63899580
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name3-(dipropylamino)-1,1,1-trifluoropropan-2-ol
SMILESCCCN(CCC)CC(O)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-3-5-13(6-4-2)7-8(14)9(10,11)12/h8,14H,3-7H2,1-2H3
InChIKeyZWGIXMLUJMRNOQ-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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 3-(dipropylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(dipropylamino)-1,1,1-trifluoropropan-2-ol (CID 63899580) is 3-(dipropylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(dipropylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(dipropylamino)-1,1,1-trifluoropropan-2-ol is CCCN(CCC)CC(O)C(F)(F)F.
What is the InChIKey of 3-(dipropylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is ZWGIXMLUJMRNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-3-5-13(6-4-2)7-8(14)9(10,11)12/h8,14H,3-7H2,1-2H3.
What are the key properties of 3-(dipropylamino)-1,1,1-trifluoropropan-2-ol?
3-(dipropylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 213.24 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63899580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).