(3R)-1,1,1-trifluoro-4-methyl-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol

C10H17F6NO — CID 59459016

IUPAC(3R)-1,1,1-trifluoro-4-methyl-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol
SMILESCC(C)N[C@H](C(C)C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H17F6NO/c1-5(2)7(17-6(3)4)8(18,9(11,12)13)10(14,15)16/h5-7,17-18H,1-4H3/t7-/m1/s1
InChIKeyJQPYCZIDMWTMSN-SSDOTTSWSA-N
MW281.24 g/mol
LogP2.86
Rot. Bonds4

About (3R)-1,1,1-trifluoro-4-methyl-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol

(3R)-1,1,1-trifluoro-4-methyl-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol (PubChem CID 59459016) has the molecular formula C10H17F6NO and a molecular weight of 281.24 g/mol. Its IUPAC name is (3R)-1,1,1-trifluoro-4-methyl-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol.

Molecular Properties

Compound Name(3R)-1,1,1-trifluoro-4-methyl-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol
PubChem CID59459016
Molecular FormulaC10H17F6NO
Molecular Weight281.24 g/mol
Exact Mass281.12
IUPAC Name(3R)-1,1,1-trifluoro-4-methyl-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol
SMILESCC(C)N[C@H](C(C)C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H17F6NO/c1-5(2)7(17-6(3)4)8(18,9(11,12)13)10(14,15)16/h5-7,17-18H,1-4H3/t7-/m1/s1
InChIKeyJQPYCZIDMWTMSN-SSDOTTSWSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1,1,1-trifluoro-4-methyl-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol?
The IUPAC name of (3R)-1,1,1-trifluoro-4-methyl-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol (CID 59459016) is (3R)-1,1,1-trifluoro-4-methyl-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol.
What is the SMILES notation for (3R)-1,1,1-trifluoro-4-methyl-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol?
The canonical SMILES for (3R)-1,1,1-trifluoro-4-methyl-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol is CC(C)N[C@H](C(C)C)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (3R)-1,1,1-trifluoro-4-methyl-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol?
The InChIKey is JQPYCZIDMWTMSN-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17F6NO/c1-5(2)7(17-6(3)4)8(18,9(11,12)13)10(14,15)16/h5-7,17-18H,1-4H3/t7-/m1/s1.
What are the key properties of (3R)-1,1,1-trifluoro-4-methyl-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol?
(3R)-1,1,1-trifluoro-4-methyl-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol has a molecular weight of 281.24 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1,1-trifluoro-4-methyl-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol is sourced from PubChem (CID 59459016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).