1,1,1,3,3,3-hexafluoro-2-[4-(3-methylbutan-2-yl)cyclohexyl]propan-2-ol

C14H22F6O — CID 154539198

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-(3-methylbutan-2-yl)cyclohexyl]propan-2-ol
SMILESCC(C)C(C)C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C14H22F6O/c1-8(2)9(3)10-4-6-11(7-5-10)12(21,13(15,16)17)14(18,19)20/h8-11,21H,4-7H2,1-3H3
InChIKeyBHDLTVWFTXFZSO-UHFFFAOYSA-N
MW320.32 g/mol
LogP4.94
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-2-[4-(3-methylbutan-2-yl)cyclohexyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-(3-methylbutan-2-yl)cyclohexyl]propan-2-ol (PubChem CID 154539198) has the molecular formula C14H22F6O and a molecular weight of 320.32 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-(3-methylbutan-2-yl)cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-(3-methylbutan-2-yl)cyclohexyl]propan-2-ol
PubChem CID154539198
Molecular FormulaC14H22F6O
Molecular Weight320.32 g/mol
Exact Mass320.16
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-(3-methylbutan-2-yl)cyclohexyl]propan-2-ol
SMILESCC(C)C(C)C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C14H22F6O/c1-8(2)9(3)10-4-6-11(7-5-10)12(21,13(15,16)17)14(18,19)20/h8-11,21H,4-7H2,1-3H3
InChIKeyBHDLTVWFTXFZSO-UHFFFAOYSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(3-methylbutan-2-yl)cyclohexyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(3-methylbutan-2-yl)cyclohexyl]propan-2-ol (CID 154539198) is 1,1,1,3,3,3-hexafluoro-2-[4-(3-methylbutan-2-yl)cyclohexyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-(3-methylbutan-2-yl)cyclohexyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-(3-methylbutan-2-yl)cyclohexyl]propan-2-ol is CC(C)C(C)C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-(3-methylbutan-2-yl)cyclohexyl]propan-2-ol?
The InChIKey is BHDLTVWFTXFZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F6O/c1-8(2)9(3)10-4-6-11(7-5-10)12(21,13(15,16)17)14(18,19)20/h8-11,21H,4-7H2,1-3H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-(3-methylbutan-2-yl)cyclohexyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-(3-methylbutan-2-yl)cyclohexyl]propan-2-ol has a molecular weight of 320.32 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[4-(3-methylbutan-2-yl)cyclohexyl]propan-2-ol is sourced from PubChem (CID 154539198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).