(2R)-3-(dipentylamino)-1,1,1-trifluoropropan-2-ol

C13H26F3NO — CID 87509915

IUPAC(2R)-3-(dipentylamino)-1,1,1-trifluoropropan-2-ol
SMILESCCCCCN(CCCCC)C[C@@H](O)C(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-3-5-7-9-17(10-8-6-4-2)11-12(18)13(14,15)16/h12,18H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyNTVPESPEALBMLB-GFCCVEGCSA-N
MW269.35 g/mol
LogP3.59
Rot. Bonds10

About (2R)-3-(dipentylamino)-1,1,1-trifluoropropan-2-ol

(2R)-3-(dipentylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 87509915) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is (2R)-3-(dipentylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-3-(dipentylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID87509915
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC Name(2R)-3-(dipentylamino)-1,1,1-trifluoropropan-2-ol
SMILESCCCCCN(CCCCC)C[C@@H](O)C(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-3-5-7-9-17(10-8-6-4-2)11-12(18)13(14,15)16/h12,18H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyNTVPESPEALBMLB-GFCCVEGCSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(dipentylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R)-3-(dipentylamino)-1,1,1-trifluoropropan-2-ol (CID 87509915) is (2R)-3-(dipentylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R)-3-(dipentylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R)-3-(dipentylamino)-1,1,1-trifluoropropan-2-ol is CCCCCN(CCCCC)C[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R)-3-(dipentylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is NTVPESPEALBMLB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-3-5-7-9-17(10-8-6-4-2)11-12(18)13(14,15)16/h12,18H,3-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-3-(dipentylamino)-1,1,1-trifluoropropan-2-ol?
(2R)-3-(dipentylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 269.35 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(dipentylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 87509915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).