(2R)-5-ethyl-1,1,1-trifluoroheptan-2-ol

C9H17F3O — CID 18396352

IUPAC(2R)-5-ethyl-1,1,1-trifluoroheptan-2-ol
SMILESCCC(CC)CC[C@@H](O)C(F)(F)F
InChIInChI=1S/C9H17F3O/c1-3-7(4-2)5-6-8(13)9(10,11)12/h7-8,13H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyCDNADMBLPGBJCD-MRVPVSSYSA-N
MW198.23 g/mol
LogP3.13
Rot. Bonds5

About (2R)-5-ethyl-1,1,1-trifluoroheptan-2-ol

(2R)-5-ethyl-1,1,1-trifluoroheptan-2-ol (PubChem CID 18396352) has the molecular formula C9H17F3O and a molecular weight of 198.23 g/mol. Its IUPAC name is (2R)-5-ethyl-1,1,1-trifluoroheptan-2-ol.

Molecular Properties

Compound Name(2R)-5-ethyl-1,1,1-trifluoroheptan-2-ol
PubChem CID18396352
Molecular FormulaC9H17F3O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Name(2R)-5-ethyl-1,1,1-trifluoroheptan-2-ol
SMILESCCC(CC)CC[C@@H](O)C(F)(F)F
InChIInChI=1S/C9H17F3O/c1-3-7(4-2)5-6-8(13)9(10,11)12/h7-8,13H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyCDNADMBLPGBJCD-MRVPVSSYSA-N
XLogP3.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-ethyl-1,1,1-trifluoroheptan-2-ol?
The IUPAC name of (2R)-5-ethyl-1,1,1-trifluoroheptan-2-ol (CID 18396352) is (2R)-5-ethyl-1,1,1-trifluoroheptan-2-ol.
What is the SMILES notation for (2R)-5-ethyl-1,1,1-trifluoroheptan-2-ol?
The canonical SMILES for (2R)-5-ethyl-1,1,1-trifluoroheptan-2-ol is CCC(CC)CC[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R)-5-ethyl-1,1,1-trifluoroheptan-2-ol?
The InChIKey is CDNADMBLPGBJCD-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17F3O/c1-3-7(4-2)5-6-8(13)9(10,11)12/h7-8,13H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-5-ethyl-1,1,1-trifluoroheptan-2-ol?
(2R)-5-ethyl-1,1,1-trifluoroheptan-2-ol has a molecular weight of 198.23 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-ethyl-1,1,1-trifluoroheptan-2-ol is sourced from PubChem (CID 18396352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).