2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methylcyclohexan-1-ol

C10H13F7O — CID 71442100

IUPAC2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methylcyclohexan-1-ol
SMILESCC1CCC(C(F)(C(F)(F)F)C(F)(F)F)C(O)C1
InChIInChI=1S/C10H13F7O/c1-5-2-3-6(7(18)4-5)8(11,9(12,13)14)10(15,16)17/h5-7,18H,2-4H2,1H3
InChIKeyRYMFLNQDHZXPER-UHFFFAOYSA-N
MW282.20 g/mol
LogP3.62
Rot. Bonds1

About 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methylcyclohexan-1-ol

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methylcyclohexan-1-ol (PubChem CID 71442100) has the molecular formula C10H13F7O and a molecular weight of 282.20 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methylcyclohexan-1-ol
PubChem CID71442100
Molecular FormulaC10H13F7O
Molecular Weight282.20 g/mol
Exact Mass282.09
IUPAC Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methylcyclohexan-1-ol
SMILESCC1CCC(C(F)(C(F)(F)F)C(F)(F)F)C(O)C1
InChIInChI=1S/C10H13F7O/c1-5-2-3-6(7(18)4-5)8(11,9(12,13)14)10(15,16)17/h5-7,18H,2-4H2,1H3
InChIKeyRYMFLNQDHZXPER-UHFFFAOYSA-N
XLogP3.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methylcyclohexan-1-ol?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methylcyclohexan-1-ol (CID 71442100) is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methylcyclohexan-1-ol.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methylcyclohexan-1-ol?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methylcyclohexan-1-ol is CC1CCC(C(F)(C(F)(F)F)C(F)(F)F)C(O)C1.
What is the InChIKey of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methylcyclohexan-1-ol?
The InChIKey is RYMFLNQDHZXPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F7O/c1-5-2-3-6(7(18)4-5)8(11,9(12,13)14)10(15,16)17/h5-7,18H,2-4H2,1H3.
What are the key properties of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methylcyclohexan-1-ol?
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methylcyclohexan-1-ol has a molecular weight of 282.20 g/mol, XLogP of 3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methylcyclohexan-1-ol is sourced from PubChem (CID 71442100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).