7-fluoro-5,5-dimethyl-6-propan-2-yloxycyclohepta-1,3-diene

C12H19FO — CID 143035415

IUPAC7-fluoro-5,5-dimethyl-6-propan-2-yloxycyclohepta-1,3-diene
SMILESCC(C)OC1C(F)C=CC=CC1(C)C
InChIInChI=1S/C12H19FO/c1-9(2)14-11-10(13)7-5-6-8-12(11,3)4/h5-11H,1-4H3
InChIKeySVDTVGUNXGHQPF-UHFFFAOYSA-N
MW198.28 g/mol
LogP3.27
Rot. Bonds2

About 7-fluoro-5,5-dimethyl-6-propan-2-yloxycyclohepta-1,3-diene

7-fluoro-5,5-dimethyl-6-propan-2-yloxycyclohepta-1,3-diene (PubChem CID 143035415) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is 7-fluoro-5,5-dimethyl-6-propan-2-yloxycyclohepta-1,3-diene.

Molecular Properties

Compound Name7-fluoro-5,5-dimethyl-6-propan-2-yloxycyclohepta-1,3-diene
PubChem CID143035415
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Name7-fluoro-5,5-dimethyl-6-propan-2-yloxycyclohepta-1,3-diene
SMILESCC(C)OC1C(F)C=CC=CC1(C)C
InChIInChI=1S/C12H19FO/c1-9(2)14-11-10(13)7-5-6-8-12(11,3)4/h5-11H,1-4H3
InChIKeySVDTVGUNXGHQPF-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynon-3-ene
CID 58275557
2,2-Difluoro-8,8-dimethyl-1-propan-2-yloxynon-3-ene
CID 76738455
6-(2-Fluoroethoxy)-2-propan-2-ylcyclohepta-1,3-diene
CID 134376263
(Z,3R,7R)-2,2,7-trimethyl-3-(trifluoromethoxy)dec-5-ene
CID 148212353
(E)-5-methoxy-6,6-dimethylhept-2-ene
CID 134995972
(3E,5E)-8-methoxy-2,2,7,7,9,9-hexamethyldeca-3,5-diene
CID 58982102
(3E,5E)-8-methoxy-2,2,9,9-tetramethyldeca-3,5-diene
CID 58982193
(3E,5E)-8-methoxy-7,7-dimethyldeca-3,5-diene
CID 89329328
5-Methyl-5-(1-propan-2-yloxypropyl)cyclohexa-1,3-diene
CID 141204231
Hafnium(4+);5-[methanidyloxy-(1-methylcyclopenta-2,4-dien-1-yl)methyl]-5-methylcyclopenta-1,3-diene
CID 153713778
5-[Methanidyloxy-(1-methylcyclopenta-2,4-dien-1-yl)methyl]-5-methylcyclopenta-1,3-diene;zirconium
CID 154430555
Hafnium;5-[methanidyloxy-(1-methylcyclopenta-2,4-dien-1-yl)methyl]-5-methylcyclopenta-1,3-diene
CID 154433040

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5,5-dimethyl-6-propan-2-yloxycyclohepta-1,3-diene?
The IUPAC name of 7-fluoro-5,5-dimethyl-6-propan-2-yloxycyclohepta-1,3-diene (CID 143035415) is 7-fluoro-5,5-dimethyl-6-propan-2-yloxycyclohepta-1,3-diene.
What is the SMILES notation for 7-fluoro-5,5-dimethyl-6-propan-2-yloxycyclohepta-1,3-diene?
The canonical SMILES for 7-fluoro-5,5-dimethyl-6-propan-2-yloxycyclohepta-1,3-diene is CC(C)OC1C(F)C=CC=CC1(C)C.
What is the InChIKey of 7-fluoro-5,5-dimethyl-6-propan-2-yloxycyclohepta-1,3-diene?
The InChIKey is SVDTVGUNXGHQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FO/c1-9(2)14-11-10(13)7-5-6-8-12(11,3)4/h5-11H,1-4H3.
What are the key properties of 7-fluoro-5,5-dimethyl-6-propan-2-yloxycyclohepta-1,3-diene?
7-fluoro-5,5-dimethyl-6-propan-2-yloxycyclohepta-1,3-diene has a molecular weight of 198.28 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5,5-dimethyl-6-propan-2-yloxycyclohepta-1,3-diene is sourced from PubChem (CID 143035415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).