5-(difluoromethyl)-5-propan-2-yloxycyclohexa-1,3-diene

C10H14F2O — CID 118947646

IUPAC5-(difluoromethyl)-5-propan-2-yloxycyclohexa-1,3-diene
SMILESCC(C)OC1(C(F)F)C=CC=CC1
InChIInChI=1S/C10H14F2O/c1-8(2)13-10(9(11)12)6-4-3-5-7-10/h3-6,8-9H,7H2,1-2H3
InChIKeyDMBYTQZSQHZJLU-UHFFFAOYSA-N
MW188.22 g/mol
LogP2.93
Rot. Bonds3

About 5-(difluoromethyl)-5-propan-2-yloxycyclohexa-1,3-diene

5-(difluoromethyl)-5-propan-2-yloxycyclohexa-1,3-diene (PubChem CID 118947646) has the molecular formula C10H14F2O and a molecular weight of 188.22 g/mol. Its IUPAC name is 5-(difluoromethyl)-5-propan-2-yloxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(difluoromethyl)-5-propan-2-yloxycyclohexa-1,3-diene
PubChem CID118947646
Molecular FormulaC10H14F2O
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name5-(difluoromethyl)-5-propan-2-yloxycyclohexa-1,3-diene
SMILESCC(C)OC1(C(F)F)C=CC=CC1
InChIInChI=1S/C10H14F2O/c1-8(2)13-10(9(11)12)6-4-3-5-7-10/h3-6,8-9H,7H2,1-2H3
InChIKeyDMBYTQZSQHZJLU-UHFFFAOYSA-N
XLogP2.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-5-propan-2-yloxycyclohexa-1,3-diene?
The IUPAC name of 5-(difluoromethyl)-5-propan-2-yloxycyclohexa-1,3-diene (CID 118947646) is 5-(difluoromethyl)-5-propan-2-yloxycyclohexa-1,3-diene.
What is the SMILES notation for 5-(difluoromethyl)-5-propan-2-yloxycyclohexa-1,3-diene?
The canonical SMILES for 5-(difluoromethyl)-5-propan-2-yloxycyclohexa-1,3-diene is CC(C)OC1(C(F)F)C=CC=CC1.
What is the InChIKey of 5-(difluoromethyl)-5-propan-2-yloxycyclohexa-1,3-diene?
The InChIKey is DMBYTQZSQHZJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O/c1-8(2)13-10(9(11)12)6-4-3-5-7-10/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 5-(difluoromethyl)-5-propan-2-yloxycyclohexa-1,3-diene?
5-(difluoromethyl)-5-propan-2-yloxycyclohexa-1,3-diene has a molecular weight of 188.22 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-5-propan-2-yloxycyclohexa-1,3-diene is sourced from PubChem (CID 118947646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).