ethane;1,1,1-trifluoropentan-3-ol

C7H15F3O — CID 170602798

IUPACethane;1,1,1-trifluoropentan-3-ol
SMILESCC.CCC(O)CC(F)(F)F
InChIInChI=1S/C5H9F3O.C2H6/c1-2-4(9)3-5(6,7)8;1-2/h4,9H,2-3H2,1H3;1-2H3
InChIKeyORFGBXYYSGOZDK-UHFFFAOYSA-N
MW172.19 g/mol
LogP2.74
Rot. Bonds2

About ethane;1,1,1-trifluoropentan-3-ol

ethane;1,1,1-trifluoropentan-3-ol (PubChem CID 170602798) has the molecular formula C7H15F3O and a molecular weight of 172.19 g/mol. Its IUPAC name is ethane;1,1,1-trifluoropentan-3-ol.

Molecular Properties

Compound Nameethane;1,1,1-trifluoropentan-3-ol
PubChem CID170602798
Molecular FormulaC7H15F3O
Molecular Weight172.19 g/mol
Exact Mass172.11
IUPAC Nameethane;1,1,1-trifluoropentan-3-ol
SMILESCC.CCC(O)CC(F)(F)F
InChIInChI=1S/C5H9F3O.C2H6/c1-2-4(9)3-5(6,7)8;1-2/h4,9H,2-3H2,1H3;1-2H3
InChIKeyORFGBXYYSGOZDK-UHFFFAOYSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5,6,6,6-pentafluorohexan-3-ol
CID 154388893
pentane-1,1,1,3-tetrol
CID 176711420
5,5,6,6-tetrafluorohexan-3-ol
CID 131228831
1,1,1-trifluoro-5-methyloctan-3-ol
CID 62607846
1,1,1-trifluorododecan-3-ol
CID 62606550
5,5,7,7-tetramethylnonan-3-ol
CID 91489156
pentan-3-ol
CID 11428
1,1,1-trifluorohept-6-yn-3-ol
CID 63657299
(3S)-1,1,1-trifluoro-5-sulfanylhexan-3-ol
CID 162604616
tetradecane-3,6,9,12-tetrol
CID 57081340
undecane-3,6,9-triol
CID 57025994
1,1,1-trifluorohept-5-yn-3-ol
CID 62311577

Frequently Asked Questions

What is the IUPAC name of ethane;1,1,1-trifluoropentan-3-ol?
The IUPAC name of ethane;1,1,1-trifluoropentan-3-ol (CID 170602798) is ethane;1,1,1-trifluoropentan-3-ol.
What is the SMILES notation for ethane;1,1,1-trifluoropentan-3-ol?
The canonical SMILES for ethane;1,1,1-trifluoropentan-3-ol is CC.CCC(O)CC(F)(F)F.
What is the InChIKey of ethane;1,1,1-trifluoropentan-3-ol?
The InChIKey is ORFGBXYYSGOZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3O.C2H6/c1-2-4(9)3-5(6,7)8;1-2/h4,9H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;1,1,1-trifluoropentan-3-ol?
ethane;1,1,1-trifluoropentan-3-ol has a molecular weight of 172.19 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,1-trifluoropentan-3-ol is sourced from PubChem (CID 170602798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).