1-(3-tert-butyl-5-fluorocyclohexa-1,5-dien-1-yl)cyclohexan-1-ol

C16H25FO — CID 70332633

IUPAC1-(3-tert-butyl-5-fluorocyclohexa-1,5-dien-1-yl)cyclohexan-1-ol
SMILESCC(C)(C)C1C=C(C2(O)CCCCC2)C=C(F)C1
InChIInChI=1S/C16H25FO/c1-15(2,3)12-9-13(11-14(17)10-12)16(18)7-5-4-6-8-16/h9,11-12,18H,4-8,10H2,1-3H3
InChIKeyMXMLAVIDHKCPMP-UHFFFAOYSA-N
MW252.37 g/mol
LogP4.53
Rot. Bonds1

About 1-(3-tert-butyl-5-fluorocyclohexa-1,5-dien-1-yl)cyclohexan-1-ol

1-(3-tert-butyl-5-fluorocyclohexa-1,5-dien-1-yl)cyclohexan-1-ol (PubChem CID 70332633) has the molecular formula C16H25FO and a molecular weight of 252.37 g/mol. Its IUPAC name is 1-(3-tert-butyl-5-fluorocyclohexa-1,5-dien-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-tert-butyl-5-fluorocyclohexa-1,5-dien-1-yl)cyclohexan-1-ol
PubChem CID70332633
Molecular FormulaC16H25FO
Molecular Weight252.37 g/mol
Exact Mass252.19
IUPAC Name1-(3-tert-butyl-5-fluorocyclohexa-1,5-dien-1-yl)cyclohexan-1-ol
SMILESCC(C)(C)C1C=C(C2(O)CCCCC2)C=C(F)C1
InChIInChI=1S/C16H25FO/c1-15(2,3)12-9-13(11-14(17)10-12)16(18)7-5-4-6-8-16/h9,11-12,18H,4-8,10H2,1-3H3
InChIKeyMXMLAVIDHKCPMP-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-5-fluorocyclohexa-1,5-dien-1-yl)cyclohexan-1-ol?
The IUPAC name of 1-(3-tert-butyl-5-fluorocyclohexa-1,5-dien-1-yl)cyclohexan-1-ol (CID 70332633) is 1-(3-tert-butyl-5-fluorocyclohexa-1,5-dien-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-tert-butyl-5-fluorocyclohexa-1,5-dien-1-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(3-tert-butyl-5-fluorocyclohexa-1,5-dien-1-yl)cyclohexan-1-ol is CC(C)(C)C1C=C(C2(O)CCCCC2)C=C(F)C1.
What is the InChIKey of 1-(3-tert-butyl-5-fluorocyclohexa-1,5-dien-1-yl)cyclohexan-1-ol?
The InChIKey is MXMLAVIDHKCPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FO/c1-15(2,3)12-9-13(11-14(17)10-12)16(18)7-5-4-6-8-16/h9,11-12,18H,4-8,10H2,1-3H3.
What are the key properties of 1-(3-tert-butyl-5-fluorocyclohexa-1,5-dien-1-yl)cyclohexan-1-ol?
1-(3-tert-butyl-5-fluorocyclohexa-1,5-dien-1-yl)cyclohexan-1-ol has a molecular weight of 252.37 g/mol, XLogP of 4.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-5-fluorocyclohexa-1,5-dien-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 70332633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).