(2R)-1,1,1-trifluoro-4-propylheptan-2-ol

C10H19F3O — CID 18396351

IUPAC(2R)-1,1,1-trifluoro-4-propylheptan-2-ol
SMILESCCCC(CCC)C[C@@H](O)C(F)(F)F
InChIInChI=1S/C10H19F3O/c1-3-5-8(6-4-2)7-9(14)10(11,12)13/h8-9,14H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyBHARHJCPYKPWKE-SECBINFHSA-N
MW212.25 g/mol
LogP3.52
Rot. Bonds6

About (2R)-1,1,1-trifluoro-4-propylheptan-2-ol

(2R)-1,1,1-trifluoro-4-propylheptan-2-ol (PubChem CID 18396351) has the molecular formula C10H19F3O and a molecular weight of 212.25 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-4-propylheptan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-4-propylheptan-2-ol
PubChem CID18396351
Molecular FormulaC10H19F3O
Molecular Weight212.25 g/mol
Exact Mass212.14
IUPAC Name(2R)-1,1,1-trifluoro-4-propylheptan-2-ol
SMILESCCCC(CCC)C[C@@H](O)C(F)(F)F
InChIInChI=1S/C10H19F3O/c1-3-5-8(6-4-2)7-9(14)10(11,12)13/h8-9,14H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyBHARHJCPYKPWKE-SECBINFHSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-4-propylheptan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-4-propylheptan-2-ol (CID 18396351) is (2R)-1,1,1-trifluoro-4-propylheptan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-4-propylheptan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-4-propylheptan-2-ol is CCCC(CCC)C[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-4-propylheptan-2-ol?
The InChIKey is BHARHJCPYKPWKE-SECBINFHSA-N. The full InChI is InChI=1S/C10H19F3O/c1-3-5-8(6-4-2)7-9(14)10(11,12)13/h8-9,14H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-4-propylheptan-2-ol?
(2R)-1,1,1-trifluoro-4-propylheptan-2-ol has a molecular weight of 212.25 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-4-propylheptan-2-ol is sourced from PubChem (CID 18396351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).