ethane;pentan-2-ol;1,1,1-trifluorobutane

C11H25F3O — CID 143009498

IUPACethane;pentan-2-ol;1,1,1-trifluorobutane
SMILESCC.CCCC(C)O.CCCC(F)(F)F
InChIInChI=1S/C5H12O.C4H7F3.C2H6/c1-3-4-5(2)6;1-2-3-4(5,6)7;1-2/h5-6H,3-4H2,1-2H3;2-3H2,1H3;1-2H3
InChIKeySKEGFDJLLRWKDU-UHFFFAOYSA-N
MW230.31 g/mol
LogP4.54
Rot. Bonds3

About ethane;pentan-2-ol;1,1,1-trifluorobutane

ethane;pentan-2-ol;1,1,1-trifluorobutane (PubChem CID 143009498) has the molecular formula C11H25F3O and a molecular weight of 230.31 g/mol. Its IUPAC name is ethane;pentan-2-ol;1,1,1-trifluorobutane.

Molecular Properties

Compound Nameethane;pentan-2-ol;1,1,1-trifluorobutane
PubChem CID143009498
Molecular FormulaC11H25F3O
Molecular Weight230.31 g/mol
Exact Mass230.19
IUPAC Nameethane;pentan-2-ol;1,1,1-trifluorobutane
SMILESCC.CCCC(C)O.CCCC(F)(F)F
InChIInChI=1S/C5H12O.C4H7F3.C2H6/c1-3-4-5(2)6;1-2-3-4(5,6)7;1-2/h5-6H,3-4H2,1-2H3;2-3H2,1H3;1-2H3
InChIKeySKEGFDJLLRWKDU-UHFFFAOYSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-pentan-2-ol
CID 7014876
cyclohexane;pentan-2-ol
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2-methylbutan-2-ol;pentan-2-ol
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azane;1,1,1-trifluorobutane;hydrochloride
CID 135354916
hexan-2-ol;pentan-2-ol
CID 88680973
ethane;1,1,1-trifluoro-4-methylpentane
CID 142517870
ethane;1,1,1,7,7,7-hexafluoro-4-methylheptane
CID 169212435
6,6,6-trifluoro-2-methylhexan-3-ol
CID 64566136
ethoxyethane;(2S)-pentan-2-ol
CID 157362053
ethane;hexane-2,5-diol
CID 143963822
5-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 106130922
5-(3,3,3-trifluoropropoxy)pentan-2-ol
CID 82958309

Frequently Asked Questions

What is the IUPAC name of ethane;pentan-2-ol;1,1,1-trifluorobutane?
The IUPAC name of ethane;pentan-2-ol;1,1,1-trifluorobutane (CID 143009498) is ethane;pentan-2-ol;1,1,1-trifluorobutane.
What is the SMILES notation for ethane;pentan-2-ol;1,1,1-trifluorobutane?
The canonical SMILES for ethane;pentan-2-ol;1,1,1-trifluorobutane is CC.CCCC(C)O.CCCC(F)(F)F.
What is the InChIKey of ethane;pentan-2-ol;1,1,1-trifluorobutane?
The InChIKey is SKEGFDJLLRWKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C4H7F3.C2H6/c1-3-4-5(2)6;1-2-3-4(5,6)7;1-2/h5-6H,3-4H2,1-2H3;2-3H2,1H3;1-2H3.
What are the key properties of ethane;pentan-2-ol;1,1,1-trifluorobutane?
ethane;pentan-2-ol;1,1,1-trifluorobutane has a molecular weight of 230.31 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pentan-2-ol;1,1,1-trifluorobutane is sourced from PubChem (CID 143009498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).